4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine

C20H24N6 — CID 154864512

IUPAC4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCc2cc(C)nc(N3CCCC3)c2)nc2ccccc12
InChIInChI=1S/C20H24N6/c1-14-11-15(12-18(23-14)26-9-5-6-10-26)13-22-20-24-17-8-4-3-7-16(17)19(21-2)25-20/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H2,21,22,24,25)
InChIKeyALMJCECYOJMJKW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.59
Rot. Bonds5

About 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine

4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine (PubChem CID 154864512) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine
PubChem CID154864512
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCc2cc(C)nc(N3CCCC3)c2)nc2ccccc12
InChIInChI=1S/C20H24N6/c1-14-11-15(12-18(23-14)26-9-5-6-10-26)13-22-20-24-17-8-4-3-7-16(17)19(21-2)25-20/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H2,21,22,24,25)
InChIKeyALMJCECYOJMJKW-UHFFFAOYSA-N
XLogP3.59
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

6-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridazin-3-amine
CID 155952533
N-methyl-1-(2-pyrrolidin-1-ylquinolin-4-yl)methanamine
CID 62286601
5-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 167810594
6-bromo-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazin-2-amine
CID 155951800
3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 155948841
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 155948830
2-N-benzyl-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80771043
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine (CID 154864512) is 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine is CNc1nc(NCc2cc(C)nc(N3CCCC3)c2)nc2ccccc12.
What is the InChIKey of 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine?
The InChIKey is ALMJCECYOJMJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-14-11-15(12-18(23-14)26-9-5-6-10-26)13-22-20-24-17-8-4-3-7-16(17)19(21-2)25-20/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine?
4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 154864512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).