4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine

C12H21N5 — CID 79918788

IUPAC4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
SMILESCC(CNc1ncncc1N)CN1CCCC1
InChIInChI=1S/C12H21N5/c1-10(8-17-4-2-3-5-17)6-15-12-11(13)7-14-9-16-12/h7,9-10H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyDSYQSDUXGXKUNN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.20
Rot. Bonds5

About 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine

4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine (PubChem CID 79918788) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
PubChem CID79918788
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
SMILESCC(CNc1ncncc1N)CN1CCCC1
InChIInChI=1S/C12H21N5/c1-10(8-17-4-2-3-5-17)6-15-12-11(13)7-14-9-16-12/h7,9-10H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyDSYQSDUXGXKUNN-UHFFFAOYSA-N
XLogP1.20
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 66340331
3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 104506810
5-ethyl-6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80913903
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
N-(2-methyl-3-piperidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832802
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
CID 114785101
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 62994227
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914851

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine (CID 79918788) is 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine is CC(CNc1ncncc1N)CN1CCCC1.
What is the InChIKey of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine?
The InChIKey is DSYQSDUXGXKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(8-17-4-2-3-5-17)6-15-12-11(13)7-14-9-16-12/h7,9-10H,2-6,8,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine?
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).