N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

C18H28N6 — CID 110117217

IUPACN,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCCCn1cc(CN2CCCC2c2nccc(CN(C)C)n2)cn1
InChIInChI=1S/C18H28N6/c1-4-9-24-13-15(11-20-24)12-23-10-5-6-17(23)18-19-8-7-16(21-18)14-22(2)3/h7-8,11,13,17H,4-6,9-10,12,14H2,1-3H3
InChIKeyWENZQIAJODZCMK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.48
Rot. Bonds7

About N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (PubChem CID 110117217) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
PubChem CID110117217
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCCCn1cc(CN2CCCC2c2nccc(CN(C)C)n2)cn1
InChIInChI=1S/C18H28N6/c1-4-9-24-13-15(11-20-24)12-23-10-5-6-17(23)18-19-8-7-16(21-18)14-22(2)3/h7-8,11,13,17H,4-6,9-10,12,14H2,1-3H3
InChIKeyWENZQIAJODZCMK-UHFFFAOYSA-N
XLogP2.48
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
1-[1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980559
1-[3-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
CID 46980564
1'-[4-(3-methyl-1H-pyrazol-1-yl)pyrimidin-2-yl]-1,4'-bipiperidine
CID 49813954
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
N,N,6-trimethyl-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 53586709
N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729
4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 56778066
4-N,4-N,6-trimethyl-2-N-[1-(4-methylpyrazol-1-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 56778067
4-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778077
7-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56778080
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (CID 110117217) is N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is CCCn1cc(CN2CCCC2c2nccc(CN(C)C)n2)cn1.
What is the InChIKey of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The InChIKey is WENZQIAJODZCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-4-9-24-13-15(11-20-24)12-23-10-5-6-17(23)18-19-8-7-16(21-18)14-22(2)3/h7-8,11,13,17H,4-6,9-10,12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 110117217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).