N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine

C13H17N5 — CID 116977519

IUPACN-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESCN(c1ncc(-c2cc[nH]c2)cn1)C1CCNC1
InChIInChI=1S/C13H17N5/c1-18(12-3-5-15-9-12)13-16-7-11(8-17-13)10-2-4-14-6-10/h2,4,6-8,12,14-15H,3,5,9H2,1H3
InChIKeyPJHVRSSRRXTFJZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine

N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine (PubChem CID 116977519) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
PubChem CID116977519
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
SMILESCN(c1ncc(-c2cc[nH]c2)cn1)C1CCNC1
InChIInChI=1S/C13H17N5/c1-18(12-3-5-15-9-12)13-16-7-11(8-17-13)10-2-4-14-6-10/h2,4,6-8,12,14-15H,3,5,9H2,1H3
InChIKeyPJHVRSSRRXTFJZ-UHFFFAOYSA-N
XLogP1.27
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116977522
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
CID 171700739
5-ethyl-N-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116977534
2-[methyl-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]amino]ethanol
CID 116977678
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
N,5-dimethyl-N-pyrrolidin-3-yl-1H-imidazol-2-amine
CID 106552565
4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
CID 70892352
N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
CID 115118759
4-[methyl-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]amino]butanoic acid
CID 116977793
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine (CID 116977519) is N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine is CN(c1ncc(-c2cc[nH]c2)cn1)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
The InChIKey is PJHVRSSRRXTFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18(12-3-5-15-9-12)13-16-7-11(8-17-13)10-2-4-14-6-10/h2,4,6-8,12,14-15H,3,5,9H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine?
N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 116977519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).