N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C15H26N4 — CID 112924754

IUPACN-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCC(C)C2)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H26N4/c1-11-7-6-8-19(10-11)13-9-12(2)16-14(17-13)18-15(3,4)5/h9,11H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyGYUHRCCACRPAGT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds2

About N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine

N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112924754) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112924754
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCCC(C)C2)nc(NC(C)(C)C)n1
InChIInChI=1S/C15H26N4/c1-11-7-6-8-19(10-11)13-9-12(2)16-14(17-13)18-15(3,4)5/h9,11H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyGYUHRCCACRPAGT-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 133154597
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926067
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926128
N-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926130
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926131
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112924754) is N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCCC(C)C2)nc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is GYUHRCCACRPAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11-7-6-8-19(10-11)13-9-12(2)16-14(17-13)18-15(3,4)5/h9,11H,6-8,10H2,1-5H3,(H,16,17,18).
What are the key properties of N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112924754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).