N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C17H25N7 — CID 112875572

IUPACN-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NC(C)(C)C)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H25N7/c1-13-20-14(22-17(2,3)4)12-15(21-13)23-8-10-24(11-9-23)16-18-6-5-7-19-16/h5-7,12H,8-11H2,1-4H3,(H,20,21,22)
InChIKeyUDOKEUNBLQLALZ-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.11
Rot. Bonds3

About N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112875572) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112875572
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NC(C)(C)C)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H25N7/c1-13-20-14(22-17(2,3)4)12-15(21-13)23-8-10-24(11-9-23)16-18-6-5-7-19-16/h5-7,12H,8-11H2,1-4H3,(H,20,21,22)
InChIKeyUDOKEUNBLQLALZ-UHFFFAOYSA-N
XLogP2.11
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
3-[[2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113193417
N-(2-ethylphenyl)-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875594
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827
2-methyl-N-(4-methylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373247
2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112875578
N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898153
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582470
N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428533
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112875572) is N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(NC(C)(C)C)cc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is UDOKEUNBLQLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-13-20-14(22-17(2,3)4)12-15(21-13)23-8-10-24(11-9-23)16-18-6-5-7-19-16/h5-7,12H,8-11H2,1-4H3,(H,20,21,22).
What are the key properties of N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112875572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).