(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine

C17H29N5 — CID 12052820

IUPAC(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
SMILESN[C@H](CC1CCCCC1)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H29N5/c18-16(13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-19-7-4-8-20-17/h4,7-8,15-16H,1-3,5-6,9-14,18H2/t16-/m1/s1
InChIKeyLTTMRIQCVZYJIG-MRXNPFEDSA-N
MW303.45 g/mol
LogP1.90
Rot. Bonds5

About (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine

(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 12052820) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID12052820
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
SMILESN[C@H](CC1CCCCC1)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H29N5/c18-16(13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-19-7-4-8-20-17/h4,7-8,15-16H,1-3,5-6,9-14,18H2/t16-/m1/s1
InChIKeyLTTMRIQCVZYJIG-MRXNPFEDSA-N
XLogP1.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 104752458
1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
CID 154754238
1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 104744506
1-cyclopentyl-3-pyrrolidin-1-ylpropan-2-amine
CID 82399264
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
CID 69067290
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 79569923

Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine (CID 12052820) is (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine is N[C@H](CC1CCCCC1)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is LTTMRIQCVZYJIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29N5/c18-16(13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-19-7-4-8-20-17/h4,7-8,15-16H,1-3,5-6,9-14,18H2/t16-/m1/s1.
What are the key properties of (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine?
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 303.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 12052820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).