4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine

C11H19N5 — CID 22540214

IUPAC4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(NC(C)(C)C)c1N
InChIInChI=1S/C11H19N5/c1-5-6-13-9-8(12)10(15-7-14-9)16-11(2,3)4/h5,7H,1,6,12H2,2-4H3,(H2,13,14,15,16)
InChIKeyKCLJPAGCPDZPJJ-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.87
Rot. Bonds4

About 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine

4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine (PubChem CID 22540214) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
PubChem CID22540214
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(NC(C)(C)C)c1N
InChIInChI=1S/C11H19N5/c1-5-6-13-9-8(12)10(15-7-14-9)16-11(2,3)4/h5,7H,1,6,12H2,2-4H3,(H2,13,14,15,16)
InChIKeyKCLJPAGCPDZPJJ-UHFFFAOYSA-N
XLogP1.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-N-ethylpyrimidine-4,5-diamine
CID 351002
N4-methylpyrimidine-4,5-diamine
CID 12523164
6-N-methyl-5-nitroso-4-N-propylpyrimidine-4,6-diamine
CID 11672848
6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 57403334
4-N-(2-amino-2-methylpropyl)pyrimidine-2,4-diamine
CID 49856813
4-N-(propan-2-yl)pyrimidine-4,5-diamine
CID 21820835
n4-Butyl-6-chloropyrimidine-4,5-diamine
CID 227571
N4-methylpyrimidine-4,5,6-triamine
CID 816958
Pyrimidine, 4,5,6-trismethylamino-
CID 15332934
Pyrimidine, 5-amino-4-dimethylamino-6-methylamino-
CID 19134975
Pyrimidine, 4,5-bismethylamino-
CID 23422083
2-N-methylpyrimidine-2,4,5-triamine
CID 255375

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine (CID 22540214) is 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine is C=CCNc1ncnc(NC(C)(C)C)c1N.
What is the InChIKey of 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The InChIKey is KCLJPAGCPDZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-5-6-13-9-8(12)10(15-7-14-9)16-11(2,3)4/h5,7H,1,6,12H2,2-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine has a molecular weight of 221.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).