6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

C16H29N5 — CID 80749906

IUPAC6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCN(CC)CC2)c1C(C)C
InChIInChI=1S/C16H29N5/c1-5-7-17-15-14(13(3)4)16(19-12-18-15)21-10-8-20(6-2)9-11-21/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyZVBURKOTRKHUQI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80749906) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80749906
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCN(CC)CC2)c1C(C)C
InChIInChI=1S/C16H29N5/c1-5-7-17-15-14(13(3)4)16(19-12-18-15)21-10-8-20(6-2)9-11-21/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyZVBURKOTRKHUQI-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80855091
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484
4-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80827636
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80857269
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80857417
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80879410
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-(4-ethylpiperazin-1-yl)-6-hydrazinylpyrimidin-5-amine
CID 19138427

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 80749906) is 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCN(CC)CC2)c1C(C)C.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is ZVBURKOTRKHUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-7-17-15-14(13(3)4)16(19-12-18-15)21-10-8-20(6-2)9-11-21/h12-13H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80749906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).