6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine

C18H20N6 — CID 50968092

IUPAC6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(Cc1cccc2cnccc12)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C18H20N6/c1-24(11-13-4-2-3-12-10-20-8-7-15(12)13)17-9-16(21-14-5-6-14)22-18(19)23-17/h2-4,7-10,14H,5-6,11H2,1H3,(H3,19,21,22,23)
InChIKeyRLRCQAMGJBWBSC-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.82
Rot. Bonds5

About 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine

6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 50968092) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID50968092
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(Cc1cccc2cnccc12)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C18H20N6/c1-24(11-13-4-2-3-12-10-20-8-7-15(12)13)17-9-16(21-14-5-6-14)22-18(19)23-17/h2-4,7-10,14H,5-6,11H2,1H3,(H3,19,21,22,23)
InChIKeyRLRCQAMGJBWBSC-UHFFFAOYSA-N
XLogP2.82
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

Sch-79797
CID 4259181
Sri-9439
CID 446752
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Pik-iii
CID 67983123
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine (CID 50968092) is 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine is CN(Cc1cccc2cnccc12)c1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is RLRCQAMGJBWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-24(11-13-4-2-3-12-10-20-8-7-15(12)13)17-9-16(21-14-5-6-14)22-18(19)23-17/h2-4,7-10,14H,5-6,11H2,1H3,(H3,19,21,22,23).
What are the key properties of 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine?
6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 50968092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).