2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol

C8H13ClN4O — CID 60726864

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C8H13ClN4O/c1-2-5(3-14)13-8-6(10)7(9)11-4-12-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyDFLSDCAEEKYBKL-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.89
Rot. Bonds4

About 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol

2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol (PubChem CID 60726864) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
PubChem CID60726864
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C8H13ClN4O/c1-2-5(3-14)13-8-6(10)7(9)11-4-12-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyDFLSDCAEEKYBKL-UHFFFAOYSA-N
XLogP0.89
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-chloropyrimidin-4-yl)amino]decan-1-ol
CID 131878005
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 65313790
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol (CID 60726864) is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is DFLSDCAEEKYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-2-5(3-14)13-8-6(10)7(9)11-4-12-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol?
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 216.67 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 60726864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).