6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine

C16H23N5O2 — CID 129330565

IUPAC6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
SMILESCc1noc(C)c1CCNc1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C16H23N5O2/c1-11-14(12(2)23-21-11)5-6-17-15-8-16(19-10-18-15)20-13-4-3-7-22-9-13/h8,10,13H,3-7,9H2,1-2H3,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyAUVCWVIIPNNMTC-CYBMUJFWSA-N
MW317.39 g/mol
LogP2.33
Rot. Bonds6

About 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine

6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129330565) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129330565
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
SMILESCc1noc(C)c1CCNc1cc(N[C@@H]2CCCOC2)ncn1
InChIInChI=1S/C16H23N5O2/c1-11-14(12(2)23-21-11)5-6-17-15-8-16(19-10-18-15)20-13-4-3-7-22-9-13/h8,10,13H,3-7,9H2,1-2H3,(H2,17,18,19,20)/t13-/m1/s1
InChIKeyAUVCWVIIPNNMTC-CYBMUJFWSA-N
XLogP2.33
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337249
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337250
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 133464513
6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333149
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350
2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 128992657
(2R)-2-methyl-1-methylsulfanyl-3-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]propan-2-ol
CID 129336267
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
4-[[[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 129333914
(1R)-2-[[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 129335231
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine (CID 129330565) is 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine is Cc1noc(C)c1CCNc1cc(N[C@@H]2CCCOC2)ncn1.
What is the InChIKey of 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is AUVCWVIIPNNMTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-14(12(2)23-21-11)5-6-17-15-8-16(19-10-18-15)20-13-4-3-7-22-9-13/h8,10,13H,3-7,9H2,1-2H3,(H2,17,18,19,20)/t13-/m1/s1.
What are the key properties of 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 317.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129330565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).