N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine

C9H14N4 — CID 61464985

IUPACN-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCN1CCC(Nc2ncccn2)C1
InChIInChI=1S/C9H14N4/c1-13-6-3-8(7-13)12-9-10-4-2-5-11-9/h2,4-5,8H,3,6-7H2,1H3,(H,10,11,12)
InChIKeyQLOFRYJDWBYGHH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.59
Rot. Bonds2

About N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine

N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine (PubChem CID 61464985) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
PubChem CID61464985
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCN1CCC(Nc2ncccn2)C1
InChIInChI=1S/C9H14N4/c1-13-6-3-8(7-13)12-9-10-4-2-5-11-9/h2,4-5,8H,3,6-7H2,1H3,(H,10,11,12)
InChIKeyQLOFRYJDWBYGHH-UHFFFAOYSA-N
XLogP0.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 62133635
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
N-(1-iodopiperidin-4-yl)pyrimidin-2-amine
CID 164956065
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
N-(1-methylpyrrolidin-3-yl)quinolin-5-amine
CID 62975948
N-cyclobutylpyrimidin-2-amine
CID 45080152
N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 167984914
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine (CID 61464985) is N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine is CN1CCC(Nc2ncccn2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
The InChIKey is QLOFRYJDWBYGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-13-6-3-8(7-13)12-9-10-4-2-5-11-9/h2,4-5,8H,3,6-7H2,1H3,(H,10,11,12).
What are the key properties of N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine?
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 61464985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).