2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine

C15H26N4O — CID 80982416

IUPAC2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCCCO1
InChIInChI=1S/C15H26N4O/c1-10-12(16)18-14(15(2,3)4)19-13(10)17-9-11-7-5-6-8-20-11/h11H,5-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyIEENPCGINIAMGX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds3

About 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine

2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80982416) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80982416
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC1CCCCO1
InChIInChI=1S/C15H26N4O/c1-10-12(16)18-14(15(2,3)4)19-13(10)17-9-11-7-5-6-8-20-11/h11H,5-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyIEENPCGINIAMGX-UHFFFAOYSA-N
XLogP2.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-N,5-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80983616
2-tert-butyl-4-N-(1,4-dioxan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80986815
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82458758
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80982416) is 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1NCC1CCCCO1.
What is the InChIKey of 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IEENPCGINIAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-12(16)18-14(15(2,3)4)19-13(10)17-9-11-7-5-6-8-20-11/h11H,5-9H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.65, 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-(oxan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80982416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).