3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol

C11H19ClN4O — CID 133490479

IUPAC3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ncnc(Cl)c1NC
InChIInChI=1S/C11H19ClN4O/c1-3-8(4-5-17)6-14-11-9(13-2)10(12)15-7-16-11/h7-8,13,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyIBDLJAXTBFMRQU-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.99
Rot. Bonds7

About 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol

3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol (PubChem CID 133490479) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
PubChem CID133490479
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ncnc(Cl)c1NC
InChIInChI=1S/C11H19ClN4O/c1-3-8(4-5-17)6-14-11-9(13-2)10(12)15-7-16-11/h7-8,13,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyIBDLJAXTBFMRQU-UHFFFAOYSA-N
XLogP1.99
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 80840015
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
1-[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 133464635
3-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]methyl]pentan-1-ol
CID 102759121
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
4-chloro-6-[(4-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66366550
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol (CID 133490479) is 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol is CCC(CCO)CNc1ncnc(Cl)c1NC.
What is the InChIKey of 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The InChIKey is IBDLJAXTBFMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-8(4-5-17)6-14-11-9(13-2)10(12)15-7-16-11/h7-8,13,17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol has a molecular weight of 258.75 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 133490479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).