N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine

C14H24N4 — CID 72921729

IUPACN,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)CC2CCN(C(C)C)C2)n1
InChIInChI=1S/C14H24N4/c1-11(2)18-8-6-13(10-18)9-17(4)14-15-7-5-12(3)16-14/h5,7,11,13H,6,8-10H2,1-4H3
InChIKeyOUNAHKMRZFRKQE-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds4

About N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine

N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 72921729) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
PubChem CID72921729
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)CC2CCN(C(C)C)C2)n1
InChIInChI=1S/C14H24N4/c1-11(2)18-8-6-13(10-18)9-17(4)14-15-7-5-12(3)16-14/h5,7,11,13H,6,8-10H2,1-4H3
InChIKeyOUNAHKMRZFRKQE-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 141142591
8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155740008
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 63761938
2-(chloromethyl)-5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 81139474
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
CID 62960170
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine (CID 72921729) is N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine is Cc1ccnc(N(C)CC2CCN(C(C)C)C2)n1.
What is the InChIKey of N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is OUNAHKMRZFRKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)18-8-6-13(10-18)9-17(4)14-15-7-5-12(3)16-14/h5,7,11,13H,6,8-10H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine?
N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72921729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).