2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

C17H23N7 — CID 126917402

IUPAC2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)n1
InChIInChI=1S/C17H23N7/c1-22(2)15-8-9-18-17(19-15)23(3)13-10-24(11-13)16-7-6-14(20-21-16)12-4-5-12/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyNQLSBGFSIIWYJJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.53
Rot. Bonds5

About 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 126917402) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID126917402
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)n1
InChIInChI=1S/C17H23N7/c1-22(2)15-8-9-18-17(19-15)23(3)13-10-24(11-13)16-7-6-14(20-21-16)12-4-5-12/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyNQLSBGFSIIWYJJ-UHFFFAOYSA-N
XLogP1.53
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
CID 126917642
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126917398
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 126917647
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 126917388
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126917395
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 126917591
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126917536
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-2-sulfonamide
CID 126917414
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-amine
CID 126917504

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 126917402) is 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)n1.
What is the InChIKey of 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is NQLSBGFSIIWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-22(2)15-8-9-18-17(19-15)23(3)13-10-24(11-13)16-7-6-14(20-21-16)12-4-5-12/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 325.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 126917402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).