2-tert-butyl-4-N-propylpyrimidine-4,6-diamine

C11H20N4 — CID 80957078

IUPAC2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-5-6-13-9-7-8(12)14-10(15-9)11(2,3)4/h7H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyCKRIFBBPHROQSS-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.18
Rot. Bonds3

About 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80957078) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80957078
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-5-6-13-9-7-8(12)14-10(15-9)11(2,3)4/h7H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyCKRIFBBPHROQSS-UHFFFAOYSA-N
XLogP2.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106343345
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
CID 80961925
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]acetamide
CID 80956992
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80958392
2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine (CID 80957078) is 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is CKRIFBBPHROQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-6-13-9-7-8(12)14-10(15-9)11(2,3)4/h7H,5-6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 2-tert-butyl-4-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.18, 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-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).