2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine

C14H19N5OS — CID 129341639

IUPAC2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CNc1nccc(N[C@@H]2CCCOC2)n1
InChIInChI=1S/C14H19N5OS/c1-10-12(21-9-17-10)7-16-14-15-5-4-13(19-14)18-11-3-2-6-20-8-11/h4-5,9,11H,2-3,6-8H2,1H3,(H2,15,16,18,19)/t11-/m1/s1
InChIKeyRRVWVYCIKZABED-LLVKDONJSA-N
MW305.41 g/mol
LogP2.44
Rot. Bonds5

About 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine

2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129341639) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129341639
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESCc1ncsc1CNc1nccc(N[C@@H]2CCCOC2)n1
InChIInChI=1S/C14H19N5OS/c1-10-12(21-9-17-10)7-16-14-15-5-4-13(19-14)18-11-3-2-6-20-8-11/h4-5,9,11H,2-3,6-8H2,1H3,(H2,15,16,18,19)/t11-/m1/s1
InChIKeyRRVWVYCIKZABED-LLVKDONJSA-N
XLogP2.44
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 128996036
(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
CID 129332796
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
2-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333489
2-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333491
2-N-methyl-4-N-[(3S)-oxan-3-yl]-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 129342986

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (CID 129341639) is 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is Cc1ncsc1CNc1nccc(N[C@@H]2CCCOC2)n1.
What is the InChIKey of 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is RRVWVYCIKZABED-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-12(21-9-17-10)7-16-14-15-5-4-13(19-14)18-11-3-2-6-20-8-11/h4-5,9,11H,2-3,6-8H2,1H3,(H2,15,16,18,19)/t11-/m1/s1.
What are the key properties of 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 305.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129341639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).