N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

C18H28N6O — CID 155513601

IUPACN-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(Nc2nccc(-c3cn[nH]c3C(C)C)n2)CC1
InChIInChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyGRHFKIYSAMODSD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.51
Rot. Bonds7

About N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 155513601) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID155513601
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCOCCN1CCC(Nc2nccc(-c3cn[nH]c3C(C)C)n2)CC1
InChIInChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyGRHFKIYSAMODSD-UHFFFAOYSA-N
XLogP2.51
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-(5-pyridin-3-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 142395558
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 59564744
N-(1-methylpiperidin-4-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 59564862
4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 59564767
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
2-ethyl-N-[1-(2-methoxyethyl)piperidin-4-yl]pyridin-4-amine
CID 144986544
4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 143575109
N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 59564766
4-(5-amino-1-methylpyrazol-4-yl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
CID 70312473
N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]methanesulfonamide
CID 44591768
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 126558959

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine (CID 155513601) is N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine is COCCN1CCC(Nc2nccc(-c3cn[nH]c3C(C)C)n2)CC1.
What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is GRHFKIYSAMODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155513601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).