2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C18H26N6 — CID 134706682

IUPAC2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCCNc3cccnc3)n1)CCCC2
InChIInChI=1S/C18H26N6/c1-24(2)18-22-16-9-4-3-8-15(16)17(23-18)21-12-6-11-20-14-7-5-10-19-13-14/h5,7,10,13,20H,3-4,6,8-9,11-12H2,1-2H3,(H,21,22,23)
InChIKeyLAQQPYNZEDRWPF-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.73
Rot. Bonds7

About 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 134706682) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID134706682
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCCNc3cccnc3)n1)CCCC2
InChIInChI=1S/C18H26N6/c1-24(2)18-22-16-9-4-3-8-15(16)17(23-18)21-12-6-11-20-14-7-5-10-19-13-14/h5,7,10,13,20H,3-4,6,8-9,11-12H2,1-2H3,(H,21,22,23)
InChIKeyLAQQPYNZEDRWPF-UHFFFAOYSA-N
XLogP2.73
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.73
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 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 134706682) is 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CN(C)c1nc2c(c(NCCCNc3cccnc3)n1)CCCC2.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is LAQQPYNZEDRWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-24(2)18-22-16-9-4-3-8-15(16)17(23-18)21-12-6-11-20-14-7-5-10-19-13-14/h5,7,10,13,20H,3-4,6,8-9,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 134706682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).