4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine

C11H19N5 — CID 80848122

IUPAC4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCN(CC1CCCN1C)c1cc(N)ncn1
InChIInChI=1S/C11H19N5/c1-15-5-3-4-9(15)7-16(2)11-6-10(12)13-8-14-11/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14)
InChIKeyXTGHHVNGRSWFAY-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.59
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine

4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80848122) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80848122
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCN(CC1CCCN1C)c1cc(N)ncn1
InChIInChI=1S/C11H19N5/c1-15-5-3-4-9(15)7-16(2)11-6-10(12)13-8-14-11/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14)
InChIKeyXTGHHVNGRSWFAY-UHFFFAOYSA-N
XLogP0.59
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
4-N,6-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848121
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80838310
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80877128
5-iodo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 116649014
5-fluoro-3-N-methyl-3-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 79304677
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80848122) is 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is CN(CC1CCCN1C)c1cc(N)ncn1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is XTGHHVNGRSWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-5-3-4-9(15)7-16(2)11-6-10(12)13-8-14-11/h6,8-9H,3-5,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine?
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80848122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).