2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol

C14H26N4O — CID 80983002

IUPAC2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCCc1nc(N)c(C)c(NC(CC)(CC)CO)n1
InChIInChI=1S/C14H26N4O/c1-5-8-11-16-12(15)10(4)13(17-11)18-14(6-2,7-3)9-19/h19H,5-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyLLBWYBDSMJLZAJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.28
Rot. Bonds7

About 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol (PubChem CID 80983002) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
PubChem CID80983002
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCCc1nc(N)c(C)c(NC(CC)(CC)CO)n1
InChIInChI=1S/C14H26N4O/c1-5-8-11-16-12(15)10(4)13(17-11)18-14(6-2,7-3)9-19/h19H,5-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyLLBWYBDSMJLZAJ-UHFFFAOYSA-N
XLogP2.28
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983064
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311687
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
2-[3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311493
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163416
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol (CID 80983002) is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol is CCCc1nc(N)c(C)c(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is LLBWYBDSMJLZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-8-11-16-12(15)10(4)13(17-11)18-14(6-2,7-3)9-19/h19H,5-9H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 80983002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).