2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol

C12H21N3O4 — CID 107851350

IUPAC2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
SMILESCc1cc(OC(C)C)nc(NC(CO)(CO)CO)n1
InChIInChI=1S/C12H21N3O4/c1-8(2)19-10-4-9(3)13-11(14-10)15-12(5-16,6-17)7-18/h4,8,16-18H,5-7H2,1-3H3,(H,13,14,15)
InChIKeyVNZWHMPYLDNVRJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.30
Rot. Bonds7

About 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol

2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol (PubChem CID 107851350) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
PubChem CID107851350
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
SMILESCc1cc(OC(C)C)nc(NC(CO)(CO)CO)n1
InChIInChI=1S/C12H21N3O4/c1-8(2)19-10-4-9(3)13-11(14-10)15-12(5-16,6-17)7-18/h4,8,16-18H,5-7H2,1-3H3,(H,13,14,15)
InChIKeyVNZWHMPYLDNVRJ-UHFFFAOYSA-N
XLogP-0.30
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol with MolForge

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635636
methyl 2-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoate
CID 115973686
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
CID 106165726
2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107866270
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 113495849
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol (CID 107851350) is 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol is Cc1cc(OC(C)C)nc(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol?
The InChIKey is VNZWHMPYLDNVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(2)19-10-4-9(3)13-11(14-10)15-12(5-16,6-17)7-18/h4,8,16-18H,5-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol has a molecular weight of 271.32 g/mol, XLogP of -0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107851350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).