5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine

C14H21ClN4 — CID 139391140

IUPAC5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
SMILESC[C@H]1CN(CC2CC2)CCN1c1cc(N)c(Cl)cn1
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
InChIKeyJXHUZINNVXKXFY-JTQLQIEISA-N
MW280.80 g/mol
LogP2.24
Rot. Bonds3

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

5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine (PubChem CID 139391140) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
PubChem CID139391140
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine
SMILESC[C@H]1CN(CC2CC2)CCN1c1cc(N)c(Cl)cn1
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
InChIKeyJXHUZINNVXKXFY-JTQLQIEISA-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 ≤ 500280.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
The IUPAC name of 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine (CID 139391140) is 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
The canonical SMILES for 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine is C[C@H]1CN(CC2CC2)CCN1c1cc(N)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
The InChIKey is JXHUZINNVXKXFY-JTQLQIEISA-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.
What are the key properties of 5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine?
5-chloro-2-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine has a molecular weight of 280.80 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-(cyclopropylmethyl)-2-methylpiperazin-1-yl]pyridin-4-amine is sourced from PubChem (CID 139391140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).