N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C14H19N5O — CID 125164969

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C14H19N5O/c1-9-12(10(2)19-18-9)6-15-14-5-13(16-8-17-14)11-3-4-20-7-11/h5,8,11H,3-4,6-7H2,1-2H3,(H,18,19)(H,15,16,17)/t11-/m1/s1
InChIKeyGXRYWWVGLACYPP-LLVKDONJSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125164969) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125164969
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C14H19N5O/c1-9-12(10(2)19-18-9)6-15-14-5-13(16-8-17-14)11-3-4-20-7-11/h5,8,11H,3-4,6-7H2,1-2H3,(H,18,19)(H,15,16,17)/t11-/m1/s1
InChIKeyGXRYWWVGLACYPP-LLVKDONJSA-N
XLogP1.93
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 125164969) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is Cc1n[nH]c(C)c1CNc1cc([C@@H]2CCOC2)ncn1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is GXRYWWVGLACYPP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-12(10(2)19-18-9)6-15-14-5-13(16-8-17-14)11-3-4-20-7-11/h5,8,11H,3-4,6-7H2,1-2H3,(H,18,19)(H,15,16,17)/t11-/m1/s1.
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125164969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).