N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine

C18H25N7 — CID 169160107

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine
SMILESCNCC12CCC(C1)N(c1nccc(Nc3cc(C4CC4)[nH]n3)n1)C2
InChIInChI=1S/C18H25N7/c1-19-10-18-6-4-13(9-18)25(11-18)17-20-7-5-15(22-17)21-16-8-14(23-24-16)12-2-3-12/h5,7-8,12-13,19H,2-4,6,9-11H2,1H3,(H2,20,21,22,23,24)
InChIKeyJPOWAXYPDHSJDM-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.40
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine (PubChem CID 169160107) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine
PubChem CID169160107
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine
SMILESCNCC12CCC(C1)N(c1nccc(Nc3cc(C4CC4)[nH]n3)n1)C2
InChIInChI=1S/C18H25N7/c1-19-10-18-6-4-13(9-18)25(11-18)17-20-7-5-15(22-17)21-16-8-14(23-24-16)12-2-3-12/h5,7-8,12-13,19H,2-4,6,9-11H2,1H3,(H2,20,21,22,23,24)
InChIKeyJPOWAXYPDHSJDM-UHFFFAOYSA-N
XLogP2.40
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(chloromethyl)-2-azabicyclo[2.1.1]hexan-2-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170033
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[4-[(2-methoxyethylamino)methyl]-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
CID 169170036
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(3-methylsulfonylpropylamino)methyl]-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
CID 170131491
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
CID 169170249
1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine
CID 176763146
1-[2-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)-fluoromethyl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine
CID 176763080
1-[2-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)-methoxymethyl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine
CID 176763137
N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
CID 176763065
1-[2-[4-[(3-cyclopentyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine
CID 170131200
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine (CID 169160107) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine is CNCC12CCC(C1)N(c1nccc(Nc3cc(C4CC4)[nH]n3)n1)C2.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine?
The InChIKey is JPOWAXYPDHSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-19-10-18-6-4-13(9-18)25(11-18)17-20-7-5-15(22-17)21-16-8-14(23-24-16)12-2-3-12/h5,7-8,12-13,19H,2-4,6,9-11H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine has a molecular weight of 339.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 169160107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).