5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine

C12H18ClN3O — CID 129002347

IUPAC5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine
SMILESCC(C)[C@H]1OCC[C@@H]1CNc1ncc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-8(2)11-9(3-4-17-11)5-14-12-15-6-10(13)7-16-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)/t9-,11-/m1/s1
InChIKeySKYKJHBKNQFFDP-MWLCHTKSSA-N
MW255.75 g/mol
LogP2.60
Rot. Bonds4

About 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine

5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine (PubChem CID 129002347) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine
PubChem CID129002347
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine
SMILESCC(C)[C@H]1OCC[C@@H]1CNc1ncc(Cl)cn1
InChIInChI=1S/C12H18ClN3O/c1-8(2)11-9(3-4-17-11)5-14-12-15-6-10(13)7-16-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)/t9-,11-/m1/s1
InChIKeySKYKJHBKNQFFDP-MWLCHTKSSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine (CID 129002347) is 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine is CC(C)[C@H]1OCC[C@@H]1CNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is SKYKJHBKNQFFDP-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)11-9(3-4-17-11)5-14-12-15-6-10(13)7-16-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)/t9-,11-/m1/s1.
What are the key properties of 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine?
5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 129002347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).