(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine

C17H27N5 — CID 72865929

IUPAC(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H27N5/c1-12-9-16(20-17(19-12)21-7-3-2-4-8-21)22-10-14(13-5-6-13)15(18)11-22/h9,13-15H,2-8,10-11,18H2,1H3/t14-,15+/m1/s1
InChIKeyMPGITSNSQDYQEM-CABCVRRESA-N
MW301.44 g/mol
LogP1.95
Rot. Bonds3

About (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 72865929) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID72865929
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H27N5/c1-12-9-16(20-17(19-12)21-7-3-2-4-8-21)22-10-14(13-5-6-13)15(18)11-22/h9,13-15H,2-8,10-11,18H2,1H3/t14-,15+/m1/s1
InChIKeyMPGITSNSQDYQEM-CABCVRRESA-N
XLogP1.95
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-(2,5-dihydropyrrol-1-yl)-6-methyl-2-piperidin-1-ylpyrimidine
CID 134700618
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 72934333
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
(3aR,5R,6R,7aS)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172669506
2-[[(3R,4R)-4-(hydroxymethyl)-1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 70784017

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine (CID 72865929) is (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine is Cc1cc(N2C[C@H](C3CC3)[C@@H](N)C2)nc(N2CCCCC2)n1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is MPGITSNSQDYQEM-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N5/c1-12-9-16(20-17(19-12)21-7-3-2-4-8-21)22-10-14(13-5-6-13)15(18)11-22/h9,13-15H,2-8,10-11,18H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 301.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72865929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).