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

C16H29N5 — CID 80959285

IUPACN-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCN(C)C(C)(C)C2)nc(C(C)C)n1
InChIInChI=1S/C16H29N5/c1-7-17-13-10-14(19-15(18-13)12(2)3)21-9-8-20(6)16(4,5)11-21/h10,12H,7-9,11H2,1-6H3,(H,17,18,19)
InChIKeyNNJAZTIKTPZGSE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds4

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

N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80959285) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80959285
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCN(C)C(C)(C)C2)nc(C(C)C)n1
InChIInChI=1S/C16H29N5/c1-7-17-13-10-14(19-15(18-13)12(2)3)21-9-8-20(6)16(4,5)11-21/h10,12H,7-9,11H2,1-6H3,(H,17,18,19)
InChIKeyNNJAZTIKTPZGSE-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
4-chloro-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 80951651
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
[6-(3,3-diethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968492
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
N-ethyl-6-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103541756
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81107966
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 80959285) is N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCN(C)C(C)(C)C2)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is NNJAZTIKTPZGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-7-17-13-10-14(19-15(18-13)12(2)3)21-9-8-20(6)16(4,5)11-21/h10,12H,7-9,11H2,1-6H3,(H,17,18,19).
What are the key properties of N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80959285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).