3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol

C11H18ClN3O2 — CID 80978749

IUPAC3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCCc1nc(Cl)c(C)c(NCC(O)CO)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-4-9-14-10(12)7(2)11(15-9)13-5-8(17)6-16/h8,16-17H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyPDPRMRGPIKLKAQ-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.16
Rot. Bonds6

About 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 80978749) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID80978749
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCCCc1nc(Cl)c(C)c(NCC(O)CO)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-4-9-14-10(12)7(2)11(15-9)13-5-8(17)6-16/h8,16-17H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyPDPRMRGPIKLKAQ-UHFFFAOYSA-N
XLogP1.16
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093887
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114156614
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
N-(2-butoxyethyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80971632
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol (CID 80978749) is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol is CCCc1nc(Cl)c(C)c(NCC(O)CO)n1.
What is the InChIKey of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is PDPRMRGPIKLKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-4-9-14-10(12)7(2)11(15-9)13-5-8(17)6-16/h8,16-17H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 259.74 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 80978749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).