5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine

C21H29N5 — CID 118290921

IUPAC5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C21H29N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18-19,25H,7-11,14-15H2,1H3,(H2,22,23,24)/t18-,19+/m0/s1
InChIKeyJXDWUMXFIZDQFJ-RBUKOAKNSA-N
MW351.50 g/mol
LogP2.81
Rot. Bonds6

About 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine

5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 118290921) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID118290921
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C21H29N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18-19,25H,7-11,14-15H2,1H3,(H2,22,23,24)/t18-,19+/m0/s1
InChIKeyJXDWUMXFIZDQFJ-RBUKOAKNSA-N
XLogP2.81
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 163481953
(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118290778
(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302763
2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
CID 118297869
4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155265856
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
N-[(3-methylpiperidin-3-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63133645
N-(2-aminophenyl)-4-[[4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
CID 137422540
trans-(1R,2S)-N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266287
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
2-[[4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 175748341
trans-(1S,2R)-N-[[1-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]methyl]-2-phenylcyclopropan-1-amine
CID 155266639

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine (CID 118290921) is 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine is CC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is JXDWUMXFIZDQFJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H29N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18-19,25H,7-11,14-15H2,1H3,(H2,22,23,24)/t18-,19+/m0/s1.
What are the key properties of 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 351.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118290921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).