N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

C18H28N6 — CID 110117141

IUPACN,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCCC1c1nccc(CN(C)C)n1
InChIInChI=1S/C18H28N6/c1-13-16(14(2)23(5)21-13)12-24-10-6-7-17(24)18-19-9-8-15(20-18)11-22(3)4/h8-9,17H,6-7,10-12H2,1-5H3
InChIKeyMOMBPTMCEIYQND-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.23
Rot. Bonds5

About N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (PubChem CID 110117141) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
PubChem CID110117141
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCCC1c1nccc(CN(C)C)n1
InChIInChI=1S/C18H28N6/c1-13-16(14(2)23(5)21-13)12-24-10-6-7-17(24)18-19-9-8-15(20-18)11-22(3)4/h8-9,17H,6-7,10-12H2,1-5H3
InChIKeyMOMBPTMCEIYQND-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
7-Methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671223
N-[(1-pyrimidin-2-yl-1H-pyrrol-2-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 46984746
N-[(1-pyridin-2-yl-1H-pyrrol-2-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 46989405
N,N,6-trimethyl-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 53586709
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53602110
2-tert-butyl-6-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56759208
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
6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56780916
4-cyclobutyl-6-methyl-2-[3-(1H-pyrazol-1-yl)azetidin-1-yl]pyrimidine
CID 56868221
4-cyclopentyl-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 56878036

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine (CID 110117141) is N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is Cc1nn(C)c(C)c1CN1CCCC1c1nccc(CN(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
The InChIKey is MOMBPTMCEIYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-13-16(14(2)23(5)21-13)12-24-10-6-7-17(24)18-19-9-8-15(20-18)11-22(3)4/h8-9,17H,6-7,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine?
N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.23, 5 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 110117141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).