3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

C18H26N6 — CID 91785943

IUPAC3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCC(CCn4cccn4)CC3)ncn2)C1
InChIInChI=1S/C18H26N6/c19-16-10-15(11-16)17-12-18(21-13-20-17)23-7-2-14(3-8-23)4-9-24-6-1-5-22-24/h1,5-6,12-16H,2-4,7-11,19H2
InChIKeySGDDKSVNQNFAFI-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.18
Rot. Bonds5

About 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91785943) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91785943
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2cc(N3CCC(CCn4cccn4)CC3)ncn2)C1
InChIInChI=1S/C18H26N6/c19-16-10-15(11-16)17-12-18(21-13-20-17)23-7-2-14(3-8-23)4-9-24-6-1-5-22-24/h1,5-6,12-16H,2-4,7-11,19H2
InChIKeySGDDKSVNQNFAFI-UHFFFAOYSA-N
XLogP2.18
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
CID 154902300
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56754929
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91785943) is 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is NC1CC(c2cc(N3CCC(CCn4cccn4)CC3)ncn2)C1.
What is the InChIKey of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is SGDDKSVNQNFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c19-16-10-15(11-16)17-12-18(21-13-20-17)23-7-2-14(3-8-23)4-9-24-6-1-5-22-24/h1,5-6,12-16H,2-4,7-11,19H2.
What are the key properties of 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 326.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91785943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).