6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine

C19H28N6 — CID 143533319

IUPAC6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine
SMILESC=NNc1cc(N(CCC)CCC)nc(CCCc2ccccn2)n1
InChIInChI=1S/C19H28N6/c1-4-13-25(14-5-2)19-15-18(24-20-3)22-17(23-19)11-8-10-16-9-6-7-12-21-16/h6-7,9,12,15H,3-5,8,10-11,13-14H2,1-2H3,(H,22,23,24)
InChIKeyVEPKZRANVPFLBQ-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.70
Rot. Bonds11

About 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine

6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine (PubChem CID 143533319) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine
PubChem CID143533319
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine
SMILESC=NNc1cc(N(CCC)CCC)nc(CCCc2ccccn2)n1
InChIInChI=1S/C19H28N6/c1-4-13-25(14-5-2)19-15-18(24-20-3)22-17(23-19)11-8-10-16-9-6-7-12-21-16/h6-7,9,12,15H,3-5,8,10-11,13-14H2,1-2H3,(H,22,23,24)
InChIKeyVEPKZRANVPFLBQ-UHFFFAOYSA-N
XLogP3.70
TPSA66.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine (CID 143533319) is 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine is C=NNc1cc(N(CCC)CCC)nc(CCCc2ccccn2)n1.
What is the InChIKey of 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine?
The InChIKey is VEPKZRANVPFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-4-13-25(14-5-2)19-15-18(24-20-3)22-17(23-19)11-8-10-16-9-6-7-12-21-16/h6-7,9,12,15H,3-5,8,10-11,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine?
6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine has a molecular weight of 340.48 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(methylideneamino)-4-N,4-N-dipropyl-2-(3-pyridin-2-ylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 143533319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).