2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine

C15H26N4O — CID 82745998

IUPAC2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1N(C)C1CCOC1C
InChIInChI=1S/C15H26N4O/c1-9-12(16)17-14(15(3,4)5)18-13(9)19(6)11-7-8-20-10(11)2/h10-11H,7-8H2,1-6H3,(H2,16,17,18)
InChIKeyJVUBEWFMOOSVLI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds2

About 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine

2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 82745998) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
PubChem CID82745998
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)(C)C)nc1N(C)C1CCOC1C
InChIInChI=1S/C15H26N4O/c1-9-12(16)17-14(15(3,4)5)18-13(9)19(6)11-7-8-20-10(11)2/h10-11H,7-8H2,1-6H3,(H2,16,17,18)
InChIKeyJVUBEWFMOOSVLI-UHFFFAOYSA-N
XLogP2.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine (CID 82745998) is 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)(C)C)nc1N(C)C1CCOC1C.
What is the InChIKey of 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is JVUBEWFMOOSVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-9-12(16)17-14(15(3,4)5)18-13(9)19(6)11-7-8-20-10(11)2/h10-11H,7-8H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 82745998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).