3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol

C13H23N3O — CID 106144540

IUPAC3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCCc1cc(NCC(C)(C)CCO)ncn1
InChIInChI=1S/C13H23N3O/c1-4-5-11-8-12(16-10-15-11)14-9-13(2,3)6-7-17/h8,10,17H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyFCRZWSHJMUMCHI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.25
Rot. Bonds7

About 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol

3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106144540) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106144540
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCCc1cc(NCC(C)(C)CCO)ncn1
InChIInChI=1S/C13H23N3O/c1-4-5-11-8-12(16-10-15-11)14-9-13(2,3)6-7-17/h8,10,17H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyFCRZWSHJMUMCHI-UHFFFAOYSA-N
XLogP2.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
N-[2-methyl-1-[(6-propylpyrimidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 55257706
2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
CID 114155486
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866139
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
4-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106150254
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol (CID 106144540) is 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol is CCCc1cc(NCC(C)(C)CCO)ncn1.
What is the InChIKey of 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is FCRZWSHJMUMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-11-8-12(16-10-15-11)14-9-13(2,3)6-7-17/h8,10,17H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol?
3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106144540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).