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

C16H22N6 — CID 110116782

IUPACN,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine
SMILESCc1ncc(CN(C)C)c(C2CCCN2c2ncccn2)n1
InChIInChI=1S/C16H22N6/c1-12-19-10-13(11-21(2)3)15(20-12)14-6-4-9-22(14)16-17-7-5-8-18-16/h5,7-8,10,14H,4,6,9,11H2,1-3H3
InChIKeyRYWMTUFHPWYOEG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.98
Rot. Bonds4

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

N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 110116782) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine
PubChem CID110116782
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine
SMILESCc1ncc(CN(C)C)c(C2CCCN2c2ncccn2)n1
InChIInChI=1S/C16H22N6/c1-12-19-10-13(11-21(2)3)15(20-12)14-6-4-9-22(14)16-17-7-5-8-18-16/h5,7-8,10,14H,4,6,9,11H2,1-3H3
InChIKeyRYWMTUFHPWYOEG-UHFFFAOYSA-N
XLogP1.98
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine (CID 110116782) is N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine is Cc1ncc(CN(C)C)c(C2CCCN2c2ncccn2)n1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is RYWMTUFHPWYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12-19-10-13(11-21(2)3)15(20-12)14-6-4-9-22(14)16-17-7-5-8-18-16/h5,7-8,10,14H,4,6,9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine?
N,N-dimethyl-1-[2-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 1.98, 4 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-methyl-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 110116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).