2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

C16H29N5 — CID 80983916

IUPAC2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCCCN1C
InChIInChI=1S/C16H29N5/c1-11-13(17)19-15(16(2,3)4)20-14(11)18-10-12-8-6-7-9-21(12)5/h12H,6-10H2,1-5H3,(H3,17,18,19,20)
InChIKeyIYFHSDIPGHPELD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds3

About 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80983916) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80983916
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCCCN1C
InChIInChI=1S/C16H29N5/c1-11-13(17)19-15(16(2,3)4)20-14(11)18-10-12-8-6-7-9-21(12)5/h12H,6-10H2,1-5H3,(H3,17,18,19,20)
InChIKeyIYFHSDIPGHPELD-UHFFFAOYSA-N
XLogP2.56
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026122
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
5-ethyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80812781
6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029063
2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80987816
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
3-chloro-5,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 106028253
4,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
CID 65169756
6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80983916) is 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NCC1CCCCN1C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IYFHSDIPGHPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-11-13(17)19-15(16(2,3)4)20-14(11)18-10-12-8-6-7-9-21(12)5/h12H,6-10H2,1-5H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80983916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).