6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine

C15H21N5O — CID 50956940

IUPAC6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(Cc1ccncc1)Nc1cc(OC(C)C)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-10(2)21-14-9-13(19-15(16)20-14)18-11(3)8-12-4-6-17-7-5-12/h4-7,9-11H,8H2,1-3H3,(H3,16,18,19,20)
InChIKeyFNURRKYCYWNREU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.28
Rot. Bonds6

About 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine

6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 50956940) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID50956940
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(Cc1ccncc1)Nc1cc(OC(C)C)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-10(2)21-14-9-13(19-15(16)20-14)18-11(3)8-12-4-6-17-7-5-12/h4-7,9-11H,8H2,1-3H3,(H3,16,18,19,20)
InChIKeyFNURRKYCYWNREU-UHFFFAOYSA-N
XLogP2.28
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-propan-2-yloxy-4-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyrimidine-2,4-diamine
CID 95128741
3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50974007
4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
CID 114053032
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 115975028
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112726063
N-[1-(4-fluorophenyl)propan-2-yl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326924
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
2-methylsulfanyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80831839
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899228
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine
CID 119062339
4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
CID 102723665

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine (CID 50956940) is 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine is CC(Cc1ccncc1)Nc1cc(OC(C)C)nc(N)n1.
What is the InChIKey of 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is FNURRKYCYWNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)21-14-9-13(19-15(16)20-14)18-11(3)8-12-4-6-17-7-5-12/h4-7,9-11H,8H2,1-3H3,(H3,16,18,19,20).
What are the key properties of 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine?
6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50956940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).