5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine

C14H21ClN4 — CID 139391079

IUPAC5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine
SMILES[2H]C1(C([2H])([2H])N2CCN(c3cc(N)c(Cl)cn3)[C@@H](C)C2)CC1
InChIInChI=1S/C14H21ClN4/c1-10-8-18(9-11-2-3-11)4-5-19(10)14-6-13(16)12(15)7-17-14/h6-7,10-11H,2-5,8-9H2,1H3,(H2,16,17)/t10-/m0/s1/i9D2,11D
InChIKeyJXHUZINNVXKXFY-OUFIJAKVSA-N
MW283.82 g/mol
LogP2.24
Rot. Bonds3

About 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine

5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine (PubChem CID 139391079) has the molecular formula C14H21ClN4 and a molecular weight of 283.82 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine
PubChem CID139391079
Molecular FormulaC14H21ClN4
Molecular Weight283.82 g/mol
Exact Mass283.16
IUPAC Name5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine
SMILES[2H]C1(C([2H])([2H])N2CCN(c3cc(N)c(Cl)cn3)[C@@H](C)C2)CC1
InChIInChI=1S/C14H21ClN4/c1-10-8-18(9-11-2-3-11)4-5-19(10)14-6-13(16)12(15)7-17-14/h6-7,10-11H,2-5,8-9H2,1H3,(H2,16,17)/t10-/m0/s1/i9D2,11D
InChIKeyJXHUZINNVXKXFY-OUFIJAKVSA-N
XLogP2.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine with MolForge

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Related Compounds

5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
CID 139391140
5-chloro-2-[2-methyl-4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]pyridin-4-amine
CID 155211726
3-chloro-6-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-fluoropyridin-4-amine
CID 139405504
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
3-chloro-2-fluoro-6-[4-(2-methoxyethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
CID 139391098
5-chloro-2-[(5R)-3-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-4-amine
CID 139405202
5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine
CID 155630776
5-methyl-2-(2-methylpiperidin-1-yl)pyridin-4-amine
CID 83265979
[5-chloro-2-(2-methylpiperidin-1-yl)-4-pyridinyl]methanol
CID 114920177
N-[[5-chloro-2-(2,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114926682
2-(4-methoxy-2-methylpiperidin-1-yl)-5-methylpyridin-4-amine
CID 114220714
5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine
CID 139405515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine?
The IUPAC name of 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine (CID 139391079) is 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine?
The canonical SMILES for 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine is [2H]C1(C([2H])([2H])N2CCN(c3cc(N)c(Cl)cn3)[C@@H](C)C2)CC1.
What is the InChIKey of 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine?
The InChIKey is JXHUZINNVXKXFY-OUFIJAKVSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-10-8-18(9-11-2-3-11)4-5-19(10)14-6-13(16)12(15)7-17-14/h6-7,10-11H,2-5,8-9H2,1H3,(H2,16,17)/t10-/m0/s1/i9D2,11D.
What are the key properties of 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine?
5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine has a molecular weight of 283.82 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S)-4-[dideuterio-(1-deuteriocyclopropyl)methyl]-2-methylpiperazin-1-yl]pyridin-4-amine is sourced from PubChem (CID 139391079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).