6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C12H20N4O — CID 115265760

IUPAC6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(NC2CCOCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)15-11-7-12(14-8-13-11)16-10-3-5-17-6-4-10/h7-10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyXMYFHAKNHDGHOK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.89
Rot. Bonds4

About 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 115265760) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID115265760
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(NC2CCOCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)15-11-7-12(14-8-13-11)16-10-3-5-17-6-4-10/h7-10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyXMYFHAKNHDGHOK-UHFFFAOYSA-N
XLogP1.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
1-[[6-(oxan-4-ylamino)pyrimidin-4-yl]amino]propan-2-one
CID 115265033
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-cyclopentyl-N-propan-2-ylpyrimidin-4-amine
CID 126848182
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350

Frequently Asked Questions

What is the IUPAC name of 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 115265760) is 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(NC2CCOCC2)ncn1.
What is the InChIKey of 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XMYFHAKNHDGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)15-11-7-12(14-8-13-11)16-10-3-5-17-6-4-10/h7-10H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).