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

C16H26N4O2 — CID 136585045

IUPAC5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESCc1nc(N[C@@H]2CCCOC2)nc(N[C@@H]2CCCOC2)c1C
InChIInChI=1S/C16H26N4O2/c1-11-12(2)17-16(19-14-6-4-8-22-10-14)20-15(11)18-13-5-3-7-21-9-13/h13-14H,3-10H2,1-2H3,(H2,17,18,19,20)/t13-,14-/m1/s1
InChIKeyQFSZOCVRAJUMHO-ZIAGYGMSSA-N
MW306.41 g/mol
LogP2.28
Rot. Bonds4

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

5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 136585045) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
PubChem CID136585045
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESCc1nc(N[C@@H]2CCCOC2)nc(N[C@@H]2CCCOC2)c1C
InChIInChI=1S/C16H26N4O2/c1-11-12(2)17-16(19-14-6-4-8-22-10-14)20-15(11)18-13-5-3-7-21-9-13/h13-14H,3-10H2,1-2H3,(H2,17,18,19,20)/t13-,14-/m1/s1
InChIKeyQFSZOCVRAJUMHO-ZIAGYGMSSA-N
XLogP2.28
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (CID 136585045) is 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is Cc1nc(N[C@@H]2CCCOC2)nc(N[C@@H]2CCCOC2)c1C.
What is the InChIKey of 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is QFSZOCVRAJUMHO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-12(2)17-16(19-14-6-4-8-22-10-14)20-15(11)18-13-5-3-7-21-9-13/h13-14H,3-10H2,1-2H3,(H2,17,18,19,20)/t13-,14-/m1/s1.
What are the key properties of 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-N,4-N-bis[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 136585045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).