6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine

C15H21N5O — CID 72849048

IUPAC6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCCCOc2cccnc2)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-11(2)13-9-14(20-15(16)19-13)18-7-4-8-21-12-5-3-6-17-10-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H3,16,18,19,20)
InChIKeyBYKLFEGTBIXBQR-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.46
Rot. Bonds7

About 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine

6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine (PubChem CID 72849048) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine
PubChem CID72849048
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCCCOc2cccnc2)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-11(2)13-9-14(20-15(16)19-13)18-7-4-8-21-12-5-3-6-17-10-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H3,16,18,19,20)
InChIKeyBYKLFEGTBIXBQR-UHFFFAOYSA-N
XLogP2.46
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine (CID 72849048) is 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine is CC(C)c1cc(NCCCOc2cccnc2)nc(N)n1.
What is the InChIKey of 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine?
The InChIKey is BYKLFEGTBIXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)13-9-14(20-15(16)19-13)18-7-4-8-21-12-5-3-6-17-10-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H3,16,18,19,20).
What are the key properties of 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine?
6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-N-(3-pyridin-3-yloxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72849048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).