4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C10H16ClN3O — CID 79072829

IUPAC4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1cnc(Cl)nc1NCC(C)CCO
InChIInChI=1S/C10H16ClN3O/c1-7(3-4-15)5-12-9-8(2)6-13-10(11)14-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNZEWXDBFBQITNH-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.87
Rot. Bonds5

About 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 79072829) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID79072829
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1cnc(Cl)nc1NCC(C)CCO
InChIInChI=1S/C10H16ClN3O/c1-7(3-4-15)5-12-9-8(2)6-13-10(11)14-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNZEWXDBFBQITNH-UHFFFAOYSA-N
XLogP1.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311266
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 114156504
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 113244218
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80851152
4-chloro-6-[(4-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66366550
2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79075572
N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 115356881

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 79072829) is 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is Cc1cnc(Cl)nc1NCC(C)CCO.
What is the InChIKey of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is NZEWXDBFBQITNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(3-4-15)5-12-9-8(2)6-13-10(11)14-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79072829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).