2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine

C14H19N5OS — CID 129342986

IUPAC2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cscn1)c1nccc(N[C@H]2CCCOC2)n1
InChIInChI=1S/C14H19N5OS/c1-19(7-12-9-21-10-16-12)14-15-5-4-13(18-14)17-11-3-2-6-20-8-11/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,17,18)/t11-/m0/s1
InChIKeyVRPIXLOBKYIDDT-NSHDSACASA-N
MW305.41 g/mol
LogP2.16
Rot. Bonds5

About 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 129342986) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID129342986
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1cscn1)c1nccc(N[C@H]2CCCOC2)n1
InChIInChI=1S/C14H19N5OS/c1-19(7-12-9-21-10-16-12)14-15-5-4-13(18-14)17-11-3-2-6-20-8-11/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,17,18)/t11-/m0/s1
InChIKeyVRPIXLOBKYIDDT-NSHDSACASA-N
XLogP2.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 129342986) is 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1cscn1)c1nccc(N[C@H]2CCCOC2)n1.
What is the InChIKey of 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VRPIXLOBKYIDDT-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(7-12-9-21-10-16-12)14-15-5-4-13(18-14)17-11-3-2-6-20-8-11/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,17,18)/t11-/m0/s1.
What are the key properties of 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 305.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 129342986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).