2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide

C12H18ClN5O — CID 175604726

IUPAC2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CC(C(N)=O)c2cc(Cl)ncn2)CC1
InChIInChI=1S/C12H18ClN5O/c1-17-2-4-18(5-3-17)7-9(12(14)19)10-6-11(13)16-8-15-10/h6,8-9H,2-5,7H2,1H3,(H2,14,19)
InChIKeyQJULVVKMQVFFHU-UHFFFAOYSA-N
MW283.76 g/mol
LogP-0.05
Rot. Bonds4

About 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide

2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 175604726) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID175604726
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CC(C(N)=O)c2cc(Cl)ncn2)CC1
InChIInChI=1S/C12H18ClN5O/c1-17-2-4-18(5-3-17)7-9(12(14)19)10-6-11(13)16-8-15-10/h6,8-9H,2-5,7H2,1H3,(H2,14,19)
InChIKeyQJULVVKMQVFFHU-UHFFFAOYSA-N
XLogP-0.05
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide (CID 175604726) is 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CC(C(N)=O)c2cc(Cl)ncn2)CC1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is QJULVVKMQVFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-17-2-4-18(5-3-17)7-9(12(14)19)10-6-11(13)16-8-15-10/h6,8-9H,2-5,7H2,1H3,(H2,14,19).
What are the key properties of 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide?
2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 283.76 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 175604726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).