4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

C15H22N6O — CID 129341786

IUPAC4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCn1cccn1)c1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C15H22N6O/c1-20(7-8-21-6-3-5-18-21)15-10-14(16-12-17-15)19-13-4-2-9-22-11-13/h3,5-6,10,12-13H,2,4,7-9,11H2,1H3,(H,16,17,19)/t13-/m1/s1
InChIKeyRWSMNRNHIAHIIZ-CYBMUJFWSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds6

About 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 129341786) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID129341786
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCN(CCn1cccn1)c1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C15H22N6O/c1-20(7-8-21-6-3-5-18-21)15-10-14(16-12-17-15)19-13-4-2-9-22-11-13/h3,5-6,10,12-13H,2,4,7-9,11H2,1H3,(H,16,17,19)/t13-/m1/s1
InChIKeyRWSMNRNHIAHIIZ-CYBMUJFWSA-N
XLogP1.40
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (CID 129341786) is 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is CN(CCn1cccn1)c1cc(N[C@@H]2CCCOC2)ncn1.
What is the InChIKey of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is RWSMNRNHIAHIIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N6O/c1-20(7-8-21-6-3-5-18-21)15-10-14(16-12-17-15)19-13-4-2-9-22-11-13/h3,5-6,10,12-13H,2,4,7-9,11H2,1H3,(H,16,17,19)/t13-/m1/s1.
What are the key properties of 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 302.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 129341786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).