N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine

C16H29N5 — CID 80943564

IUPACN-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C16H29N5/c1-6-8-13-18-14(17-7-2)11-15(19-13)21-10-9-20(5)16(3,4)12-21/h11H,6-10,12H2,1-5H3,(H,17,18,19)
InChIKeyWCUJWERVSJWMKJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.39
Rot. Bonds5

About N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine

N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80943564) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80943564
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCN(C)C(C)(C)C2)n1
InChIInChI=1S/C16H29N5/c1-6-8-13-18-14(17-7-2)11-15(19-13)21-10-9-20(5)16(3,4)12-21/h11H,6-10,12H2,1-5H3,(H,17,18,19)
InChIKeyWCUJWERVSJWMKJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80959285
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
N-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 107396346
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 103358998
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322365
4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80942182
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 80943564) is N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is CCCc1nc(NCC)cc(N2CCN(C)C(C)(C)C2)n1.
What is the InChIKey of N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is WCUJWERVSJWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-8-13-18-14(17-7-2)11-15(19-13)21-10-9-20(5)16(3,4)12-21/h11H,6-10,12H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80943564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).