N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine

C16H29N5 — CID 80816600

IUPACN-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN(C)C(CC)C2)c1C(C)C
InChIInChI=1S/C16H29N5/c1-6-13-10-21(9-8-20(13)5)16-14(12(3)4)15(17-7-2)18-11-19-16/h11-13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeySWLZZEHLGKFPGQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80816600) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80816600
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN(C)C(CC)C2)c1C(C)C
InChIInChI=1S/C16H29N5/c1-6-13-10-21(9-8-20(13)5)16-14(12(3)4)15(17-7-2)18-11-19-16/h11-13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeySWLZZEHLGKFPGQ-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 80816935
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 102971342
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80849282
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80833774
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80834116
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80822136
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80816600) is N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(N2CCN(C)C(CC)C2)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SWLZZEHLGKFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-13-10-21(9-8-20(13)5)16-14(12(3)4)15(17-7-2)18-11-19-16/h11-13H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80816600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).