4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine

C16H26N4O2 — CID 129333350

IUPAC4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
SMILESC[C@@H]1CC(Nc2cc(N[C@@H]3CCCOC3)ncn2)C[C@H](C)O1
InChIInChI=1S/C16H26N4O2/c1-11-6-14(7-12(2)22-11)20-16-8-15(17-10-18-16)19-13-4-3-5-21-9-13/h8,10-14H,3-7,9H2,1-2H3,(H2,17,18,19,20)/t11-,12+,13-,14?/m1/s1
InChIKeyFOEYKKSPBYKWFW-RBKKPWLPSA-N
MW306.41 g/mol
LogP2.44
Rot. Bonds4

About 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine

4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine (PubChem CID 129333350) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
PubChem CID129333350
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
SMILESC[C@@H]1CC(Nc2cc(N[C@@H]3CCCOC3)ncn2)C[C@H](C)O1
InChIInChI=1S/C16H26N4O2/c1-11-6-14(7-12(2)22-11)20-16-8-15(17-10-18-16)19-13-4-3-5-21-9-13/h8,10-14H,3-7,9H2,1-2H3,(H2,17,18,19,20)/t11-,12+,13-,14?/m1/s1
InChIKeyFOEYKKSPBYKWFW-RBKKPWLPSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine (CID 129333350) is 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine is C[C@@H]1CC(Nc2cc(N[C@@H]3CCCOC3)ncn2)C[C@H](C)O1.
What is the InChIKey of 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is FOEYKKSPBYKWFW-RBKKPWLPSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-6-14(7-12(2)22-11)20-16-8-15(17-10-18-16)19-13-4-3-5-21-9-13/h8,10-14H,3-7,9H2,1-2H3,(H2,17,18,19,20)/t11-,12+,13-,14?/m1/s1.
What are the key properties of 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine?
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 306.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 129333350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).