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

C10H17N5 — CID 106028625

IUPAC2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCCC1CNc1nccc(N)n1
InChIInChI=1S/C10H17N5/c1-15-6-2-3-8(15)7-13-10-12-5-4-9(11)14-10/h4-5,8H,2-3,6-7H2,1H3,(H3,11,12,13,14)
InChIKeyKEJYCTGEHNTSNX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.56
Rot. Bonds3

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

2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 106028625) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID106028625
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCN1CCCC1CNc1nccc(N)n1
InChIInChI=1S/C10H17N5/c1-15-6-2-3-8(15)7-13-10-12-5-4-9(11)14-10/h4-5,8H,2-3,6-7H2,1H3,(H3,11,12,13,14)
InChIKeyKEJYCTGEHNTSNX-UHFFFAOYSA-N
XLogP0.56
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 142876099
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,5-diamine
CID 106028605
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 103724805
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106029137
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine (CID 106028625) is 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine is CN1CCCC1CNc1nccc(N)n1.
What is the InChIKey of 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KEJYCTGEHNTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-6-2-3-8(15)7-13-10-12-5-4-9(11)14-10/h4-5,8H,2-3,6-7H2,1H3,(H3,11,12,13,14).
What are the key properties of 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106028625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).