2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide

C17H29N5O — CID 109254206

IUPAC2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C17H29N5O/c1-4-7-21(8-5-2)16(23)15-13-18-17(19-14-15)22-11-9-20(6-3)10-12-22/h13-14H,4-12H2,1-3H3
InChIKeyDIMQNDLPHMXTRX-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.88
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide

2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 109254206) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide
PubChem CID109254206
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C17H29N5O/c1-4-7-21(8-5-2)16(23)15-13-18-17(19-14-15)22-11-9-20(6-3)10-12-22/h13-14H,4-12H2,1-3H3
InChIKeyDIMQNDLPHMXTRX-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide (CID 109254206) is 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(N2CCN(CC)CC2)nc1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide?
The InChIKey is DIMQNDLPHMXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-7-21(8-5-2)16(23)15-13-18-17(19-14-15)22-11-9-20(6-3)10-12-22/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide?
2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109254206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).