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

C15H21N5O — CID 125172812

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C15H21N5O/c1-10-13(11(2)19-18-10)7-20(3)15-6-14(16-9-17-15)12-4-5-21-8-12/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyYIFJEYLWVWPNMR-LBPRGKRZSA-N
MW287.37 g/mol
LogP1.96
Rot. Bonds4

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125172812) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125172812
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C15H21N5O/c1-10-13(11(2)19-18-10)7-20(3)15-6-14(16-9-17-15)12-4-5-21-8-12/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyYIFJEYLWVWPNMR-LBPRGKRZSA-N
XLogP1.96
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
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]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 125172812) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1n[nH]c(C)c1CN(C)c1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is YIFJEYLWVWPNMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-13(11(2)19-18-10)7-20(3)15-6-14(16-9-17-15)12-4-5-21-8-12/h6,9,12H,4-5,7-8H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 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]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125172812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).