4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine

C19H25ClN6O — CID 143879586

IUPAC4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)nc(N)n1
InChIInChI=1S/C19H25ClN6O/c1-12-8-17(25-18(21)24-12)27-7-4-14-9-16(14)13-2-5-26(6-3-13)19-22-10-15(20)11-23-19/h8,10-11,13-14,16H,2-7,9H2,1H3,(H2,21,24,25)
InChIKeyLYZWYNTYCVNRFB-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.13
Rot. Bonds6

About 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine

4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine (PubChem CID 143879586) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine
PubChem CID143879586
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine
SMILESCc1cc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)nc(N)n1
InChIInChI=1S/C19H25ClN6O/c1-12-8-17(25-18(21)24-12)27-7-4-14-9-16(14)13-2-5-26(6-3-13)19-22-10-15(20)11-23-19/h8,10-11,13-14,16H,2-7,9H2,1H3,(H2,21,24,25)
InChIKeyLYZWYNTYCVNRFB-UHFFFAOYSA-N
XLogP3.13
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine (CID 143879586) is 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine is Cc1cc(OCCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)nc(N)n1.
What is the InChIKey of 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine?
The InChIKey is LYZWYNTYCVNRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-12-8-17(25-18(21)24-12)27-7-4-14-9-16(14)13-2-5-26(6-3-13)19-22-10-15(20)11-23-19/h8,10-11,13-14,16H,2-7,9H2,1H3,(H2,21,24,25).
What are the key properties of 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine?
4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine has a molecular weight of 388.90 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 143879586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).