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

C18H23N5 — CID 118290492

IUPAC2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C18H23N5/c19-17-6-9-20-18(22-17)23-10-7-14(8-11-23)21-16-12-15(16)13-4-2-1-3-5-13/h1-6,9,14-16,21H,7-8,10-12H2,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyYENRXRGKFMUFQA-JKSUJKDBSA-N
MW309.42 g/mol
LogP2.17
Rot. Bonds4

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

2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 118290492) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine
PubChem CID118290492
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C18H23N5/c19-17-6-9-20-18(22-17)23-10-7-14(8-11-23)21-16-12-15(16)13-4-2-1-3-5-13/h1-6,9,14-16,21H,7-8,10-12H2,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyYENRXRGKFMUFQA-JKSUJKDBSA-N
XLogP2.17
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine (CID 118290492) is 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is YENRXRGKFMUFQA-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N5/c19-17-6-9-20-18(22-17)23-10-7-14(8-11-23)21-16-12-15(16)13-4-2-1-3-5-13/h1-6,9,14-16,21H,7-8,10-12H2,(H2,19,20,22)/t15-,16+/m0/s1.
What are the key properties of 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine?
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 118290492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).