[1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol

C15H26FN5O — CID 170191141

IUPAC[1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol
SMILESCC(C)(F)CCCNc1ncc(CN)c(NC2(CO)CC2)n1
InChIInChI=1S/C15H26FN5O/c1-14(2,16)4-3-7-18-13-19-9-11(8-17)12(20-13)21-15(10-22)5-6-15/h9,22H,3-8,10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyCPTBXQPXOCORQB-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.81
Rot. Bonds9

About [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol

[1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 170191141) has the molecular formula C15H26FN5O and a molecular weight of 311.41 g/mol. Its IUPAC name is [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol
PubChem CID170191141
Molecular FormulaC15H26FN5O
Molecular Weight311.41 g/mol
Exact Mass311.21
IUPAC Name[1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol
SMILESCC(C)(F)CCCNc1ncc(CN)c(NC2(CO)CC2)n1
InChIInChI=1S/C15H26FN5O/c1-14(2,16)4-3-7-18-13-19-9-11(8-17)12(20-13)21-15(10-22)5-6-15/h9,22H,3-8,10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyCPTBXQPXOCORQB-UHFFFAOYSA-N
XLogP1.81
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol with MolForge

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Related Compounds

4-[[(1R)-1-cyclopropyl-2-hydroxyethyl]amino]-2-[(4-fluoro-4-methylpentyl)amino]pyrimidine-5-carboxamide
CID 155779816
2-[(4-Fluoro-4-methylpentyl)amino]-4-[[1-(hydroxymethyl)cyclopropyl]amino]pyrimidine-5-carboxamide
CID 155779817
4-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-2-[(4-fluoro-4-methylpentyl)amino]pyrimidine-5-carboxamide
CID 156058014
3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
(1-{3-[(2-Amino-5-ethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72910877
2-(Hydroxymethyl)-2-[(2-methyl-5-propylpyrimidin-4-yl)amino]propane-1,3-diol
CID 50963034
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
1-[(2-Amino-5-ethylpyrimidin-4-YL)amino]-3-(dimethylamino)propan-2-OL
CID 72854104
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79081159
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79247137

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol?
The IUPAC name of [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 170191141) is [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol?
The canonical SMILES for [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol is CC(C)(F)CCCNc1ncc(CN)c(NC2(CO)CC2)n1.
What is the InChIKey of [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol?
The InChIKey is CPTBXQPXOCORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN5O/c1-14(2,16)4-3-7-18-13-19-9-11(8-17)12(20-13)21-15(10-22)5-6-15/h9,22H,3-8,10,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol?
[1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol has a molecular weight of 311.41 g/mol, XLogP of 1.81, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(aminomethyl)-2-[(4-fluoro-4-methylpentyl)amino]pyrimidin-4-yl]amino]cyclopropyl]methanol is sourced from PubChem (CID 170191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).