4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine

C20H27N5O2 — CID 91772222

IUPAC4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(OC2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-26-15-2-4-16(5-3-15)27-17-6-8-25(9-7-17)19-12-18(23-20(22)24-19)13-10-14(21)11-13/h2-5,12-14,17H,6-11,21H2,1H3,(H2,22,23,24)
InChIKeyRCKNVQZOMIFMIL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.32
Rot. Bonds5

About 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine

4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 91772222) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
PubChem CID91772222
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(OC2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-26-15-2-4-16(5-3-15)27-17-6-8-25(9-7-17)19-12-18(23-20(22)24-19)13-10-14(21)11-13/h2-5,12-14,17H,6-11,21H2,1H3,(H2,22,23,24)
InChIKeyRCKNVQZOMIFMIL-UHFFFAOYSA-N
XLogP2.32
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-aminocyclobutyl)-6-[4-(3-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91791199
4-(3-aminocyclobutyl)-6-[4-(2-fluorophenoxy)piperidin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902487
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154901742
4-(3-aminocyclobutyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91772177
3-[2-cyclopropyl-6-[4-(3-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154903329
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 91787107
4-(3-aminocyclobutyl)-6-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902651
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 72865913

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine (CID 91772222) is 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine is COc1ccc(OC2CCN(c3cc(C4CC(N)C4)nc(N)n3)CC2)cc1.
What is the InChIKey of 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is RCKNVQZOMIFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-26-15-2-4-16(5-3-15)27-17-6-8-25(9-7-17)19-12-18(23-20(22)24-19)13-10-14(21)11-13/h2-5,12-14,17H,6-11,21H2,1H3,(H2,22,23,24).
What are the key properties of 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine?
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 91772222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).