2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine

C13H22N4 — CID 113464266

IUPAC2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
SMILESCC1CC1CNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4/c1-8-5-9(8)7-15-11-6-10(14)16-12(17-11)13(2,3)4/h6,8-9H,5,7H2,1-4H3,(H3,14,15,16,17)
InChIKeyCHSQXSYHVFQWIA-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.42
Rot. Bonds3

About 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine (PubChem CID 113464266) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
PubChem CID113464266
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
SMILESCC1CC1CNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4/c1-8-5-9(8)7-15-11-6-10(14)16-12(17-11)13(2,3)4/h6,8-9H,5,7H2,1-4H3,(H3,14,15,16,17)
InChIKeyCHSQXSYHVFQWIA-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine (CID 113464266) is 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine is CC1CC1CNc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is CHSQXSYHVFQWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-8-5-9(8)7-15-11-6-10(14)16-12(17-11)13(2,3)4/h6,8-9H,5,7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 113464266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).