4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

C11H19N5 — CID 80829312

IUPAC4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCN1CCC(CN(C)c2cc(N)ncn2)C1
InChIInChI=1S/C11H19N5/c1-15-4-3-9(6-15)7-16(2)11-5-10(12)13-8-14-11/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyMOHPMUUNYQUOHI-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.45
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80829312) 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-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80829312
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCN1CCC(CN(C)c2cc(N)ncn2)C1
InChIInChI=1S/C11H19N5/c1-15-4-3-9(6-15)7-16(2)11-5-10(12)13-8-14-11/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyMOHPMUUNYQUOHI-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848122
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 80838310
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 95841176
3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
CID 112647771
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
6-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80914024
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80636014
5-bromo-4-N,6-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 114072288
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (CID 80829312) is 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is CN1CCC(CN(C)c2cc(N)ncn2)C1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is MOHPMUUNYQUOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-15-4-3-9(6-15)7-16(2)11-5-10(12)13-8-14-11/h5,8-9H,3-4,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.45, 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-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80829312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).