4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

C17H30N4O3S — CID 129344311

IUPAC4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)C1OCCC[C@@H]1Nc1cc(N[C@H](C)CCS(C)(=O)=O)ncn1
InChIInChI=1S/C17H30N4O3S/c1-12(2)17-14(6-5-8-24-17)21-16-10-15(18-11-19-16)20-13(3)7-9-25(4,22)23/h10-14,17H,5-9H2,1-4H3,(H2,18,19,20,21)/t13-,14+,17?/m1/s1
InChIKeyZBKIYGWUFIRFPV-LICQEQMYSA-N
MW370.52 g/mol
LogP2.33
Rot. Bonds8

About 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine

4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129344311) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129344311
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)C1OCCC[C@@H]1Nc1cc(N[C@H](C)CCS(C)(=O)=O)ncn1
InChIInChI=1S/C17H30N4O3S/c1-12(2)17-14(6-5-8-24-17)21-16-10-15(18-11-19-16)20-13(3)7-9-25(4,22)23/h10-14,17H,5-9H2,1-4H3,(H2,18,19,20,21)/t13-,14+,17?/m1/s1
InChIKeyZBKIYGWUFIRFPV-LICQEQMYSA-N
XLogP2.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine (CID 129344311) is 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is CC(C)C1OCCC[C@@H]1Nc1cc(N[C@H](C)CCS(C)(=O)=O)ncn1.
What is the InChIKey of 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is ZBKIYGWUFIRFPV-LICQEQMYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-12(2)17-14(6-5-8-24-17)21-16-10-15(18-11-19-16)20-13(3)7-9-25(4,22)23/h10-14,17H,5-9H2,1-4H3,(H2,18,19,20,21)/t13-,14+,17?/m1/s1.
What are the key properties of 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine?
4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 370.52 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-4-methylsulfonylbutan-2-yl]-6-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129344311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).