N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine

C16H29N5 — CID 80984912

IUPACN,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(N2CCN(C)C(C)(C)C2)c1C
InChIInChI=1S/C16H29N5/c1-7-13-18-14(17-8-2)12(3)15(19-13)21-10-9-20(6)16(4,5)11-21/h7-11H2,1-6H3,(H,17,18,19)
InChIKeyCDQBKGNWXRDGSV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds4

About N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine

N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80984912) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80984912
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(N2CCN(C)C(C)(C)C2)c1C
InChIInChI=1S/C16H29N5/c1-7-13-18-14(17-8-2)12(3)15(19-13)21-10-9-20(6)16(4,5)11-21/h7-11H2,1-6H3,(H,17,18,19)
InChIKeyCDQBKGNWXRDGSV-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80833885
4-chloro-2-ethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidine
CID 80972513
6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600
3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 126823483
4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80991624
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80992528
N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80985082
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 80984912) is N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is CCNc1nc(CC)nc(N2CCN(C)C(C)(C)C2)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is CDQBKGNWXRDGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-7-13-18-14(17-8-2)12(3)15(19-13)21-10-9-20(6)16(4,5)11-21/h7-11H2,1-6H3,(H,17,18,19).
What are the key properties of N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80984912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).