4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C14H19N5OS — CID 128967429

IUPAC4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cscn1)c1cc(NC2CCCOC2)ncn1
InChIInChI=1S/C14H19N5OS/c1-19(6-12-8-21-10-17-12)14-5-13(15-9-16-14)18-11-3-2-4-20-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16,18)
InChIKeyGRQYVGZJAKRGHE-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.16
Rot. Bonds5

About 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 128967429) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID128967429
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cscn1)c1cc(NC2CCCOC2)ncn1
InChIInChI=1S/C14H19N5OS/c1-19(6-12-8-21-10-17-12)14-5-13(15-9-16-14)18-11-3-2-4-20-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16,18)
InChIKeyGRQYVGZJAKRGHE-UHFFFAOYSA-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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Related Compounds

4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 129343091
2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 129342986
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 129335986
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 129341786
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350
6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333149
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 129335231
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 128967429) is 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CN(Cc1cscn1)c1cc(NC2CCCOC2)ncn1.
What is the InChIKey of 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is GRQYVGZJAKRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-19(6-12-8-21-10-17-12)14-5-13(15-9-16-14)18-11-3-2-4-20-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16,18).
What are the key properties of 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-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 4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 128967429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).