N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine

C17H23N7 — CID 176763065

IUPACN-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
SMILESCNCC12CC(C1)N(c1nccc(Nc3cn(C4CC4)cn3)n1)C2
InChIInChI=1S/C17H23N7/c1-18-9-17-6-13(7-17)24(10-17)16-19-5-4-14(22-16)21-15-8-23(11-20-15)12-2-3-12/h4-5,8,11-13,18H,2-3,6-7,9-10H2,1H3,(H,19,21,22)
InChIKeySBXWCJGNIHBEOY-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.94
Rot. Bonds6

About N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine

N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine (PubChem CID 176763065) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
PubChem CID176763065
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC NameN-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
SMILESCNCC12CC(C1)N(c1nccc(Nc3cn(C4CC4)cn3)n1)C2
InChIInChI=1S/C17H23N7/c1-18-9-17-6-13(7-17)24(10-17)16-19-5-4-14(22-16)21-15-8-23(11-20-15)12-2-3-12/h4-5,8,11-13,18H,2-3,6-7,9-10H2,1H3,(H,19,21,22)
InChIKeySBXWCJGNIHBEOY-UHFFFAOYSA-N
XLogP1.94
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine (CID 176763065) is N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine is CNCC12CC(C1)N(c1nccc(Nc3cn(C4CC4)cn3)n1)C2.
What is the InChIKey of N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine?
The InChIKey is SBXWCJGNIHBEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-18-9-17-6-13(7-17)24(10-17)16-19-5-4-14(22-16)21-15-8-23(11-20-15)12-2-3-12/h4-5,8,11-13,18H,2-3,6-7,9-10H2,1H3,(H,19,21,22).
What are the key properties of N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine?
N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylimidazol-4-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 176763065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).