5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine

C15H19ClN6 — CID 129479354

IUPAC5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESC[C@H](c1cccnc1)N1CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C15H19ClN6/c1-11(12-3-2-4-18-9-12)21-5-7-22(8-6-21)15-13(16)14(17)19-10-20-15/h2-4,9-11H,5-8H2,1H3,(H2,17,19,20)/t11-/m1/s1
InChIKeyHNYJZRHHAJSCRW-LLVKDONJSA-N
MW318.81 g/mol
LogP1.99
Rot. Bonds3

About 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine

5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 129479354) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID129479354
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESC[C@H](c1cccnc1)N1CCN(c2ncnc(N)c2Cl)CC1
InChIInChI=1S/C15H19ClN6/c1-11(12-3-2-4-18-9-12)21-5-7-22(8-6-21)15-13(16)14(17)19-10-20-15/h2-4,9-11H,5-8H2,1H3,(H2,17,19,20)/t11-/m1/s1
InChIKeyHNYJZRHHAJSCRW-LLVKDONJSA-N
XLogP1.99
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 110452626
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106811990
6-nitro-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]isoquinoline
CID 146130375
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133310020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine (CID 129479354) is 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine is C[C@H](c1cccnc1)N1CCN(c2ncnc(N)c2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is HNYJZRHHAJSCRW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-11(12-3-2-4-18-9-12)21-5-7-22(8-6-21)15-13(16)14(17)19-10-20-15/h2-4,9-11H,5-8H2,1H3,(H2,17,19,20)/t11-/m1/s1.
What are the key properties of 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 318.81 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 129479354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).