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

C15H27N5O — CID 83034209

IUPAC2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NN2CCOCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-5-6-16-12-11-13(18-14(17-12)15(2,3)4)19-20-7-9-21-10-8-20/h11H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyFVEDVOSICKYXPP-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.26
Rot. Bonds5

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

2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 83034209) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID83034209
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NN2CCOCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H27N5O/c1-5-6-16-12-11-13(18-14(17-12)15(2,3)4)19-20-7-9-21-10-8-20/h11H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyFVEDVOSICKYXPP-UHFFFAOYSA-N
XLogP2.26
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83027310
6-N-ethyl-4-N-morpholin-4-yl-2-propylpyrimidine-4,6-diamine
CID 83027389
4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565646
2-methyl-4-N-(4-methylpiperazin-1-yl)-6-N-propylpyrimidine-4,6-diamine
CID 83027220
2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
6-morpholin-4-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80956097
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine (CID 83034209) is 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NN2CCOCC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FVEDVOSICKYXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-6-16-12-11-13(18-14(17-12)15(2,3)4)19-20-7-9-21-10-8-20/h11H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 293.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 83034209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).