N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C18H27N5O — CID 126432810

IUPACN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nn(C(C)C)c(C)c1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C18H27N5O/c1-12(2)23-14(4)16(13(3)21-23)9-22(5)18-8-17(19-11-20-18)15-6-7-24-10-15/h8,11-12,15H,6-7,9-10H2,1-5H3/t15-/m0/s1
InChIKeyRKIJNMGHHDMCSS-HNNXBMFYSA-N
MW329.45 g/mol
LogP3.01
Rot. Bonds5

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126432810) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126432810
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nn(C(C)C)c(C)c1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C18H27N5O/c1-12(2)23-14(4)16(13(3)21-23)9-22(5)18-8-17(19-11-20-18)15-6-7-24-10-15/h8,11-12,15H,6-7,9-10H2,1-5H3/t15-/m0/s1
InChIKeyRKIJNMGHHDMCSS-HNNXBMFYSA-N
XLogP3.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126432810) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1nn(C(C)C)c(C)c1CN(C)c1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is RKIJNMGHHDMCSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12(2)23-14(4)16(13(3)21-23)9-22(5)18-8-17(19-11-20-18)15-6-7-24-10-15/h8,11-12,15H,6-7,9-10H2,1-5H3/t15-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126432810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).