2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol

C19H28N6O2 — CID 110270590

IUPAC2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol
SMILESCc1cc(C)nc(Nc2cc(C3CCCCN3C(CO)CO)nc(C)n2)n1
InChIInChI=1S/C19H28N6O2/c1-12-8-13(2)21-19(20-12)24-18-9-16(22-14(3)23-18)17-6-4-5-7-25(17)15(10-26)11-27/h8-9,15,17,26-27H,4-7,10-11H2,1-3H3,(H,20,21,22,23,24)
InChIKeyCSKWIMFZPRBQCI-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol

2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol (PubChem CID 110270590) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol
PubChem CID110270590
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol
SMILESCc1cc(C)nc(Nc2cc(C3CCCCN3C(CO)CO)nc(C)n2)n1
InChIInChI=1S/C19H28N6O2/c1-12-8-13(2)21-19(20-12)24-18-9-16(22-14(3)23-18)17-6-4-5-7-25(17)15(10-26)11-27/h8-9,15,17,26-27H,4-7,10-11H2,1-3H3,(H,20,21,22,23,24)
InChIKeyCSKWIMFZPRBQCI-UHFFFAOYSA-N
XLogP1.82
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol (CID 110270590) is 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol is Cc1cc(C)nc(Nc2cc(C3CCCCN3C(CO)CO)nc(C)n2)n1.
What is the InChIKey of 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol?
The InChIKey is CSKWIMFZPRBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12-8-13(2)21-19(20-12)24-18-9-16(22-14(3)23-18)17-6-4-5-7-25(17)15(10-26)11-27/h8-9,15,17,26-27H,4-7,10-11H2,1-3H3,(H,20,21,22,23,24).
What are the key properties of 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol?
2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 372.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 110270590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).