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

C14H24N4 — CID 112899803

IUPACN-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2ccnc(NC(C)(C)C)n2)C1
InChIInChI=1S/C14H24N4/c1-11-6-5-9-18(10-11)12-7-8-15-13(16-12)17-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16,17)
InChIKeyHHYZWAIKEPJZCV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds2

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

N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112899803) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112899803
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2ccnc(NC(C)(C)C)n2)C1
InChIInChI=1S/C14H24N4/c1-11-6-5-9-18(10-11)12-7-8-15-13(16-12)17-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16,17)
InChIKeyHHYZWAIKEPJZCV-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
N-tert-butyl-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112924754
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
2-methyl-N-[[6-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285603
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112899803) is N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCCN(c2ccnc(NC(C)(C)C)n2)C1.
What is the InChIKey of N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is HHYZWAIKEPJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-6-5-9-18(10-11)12-7-8-15-13(16-12)17-14(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16,17).
What are the key properties of N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 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-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112899803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).