[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride

C18H29Cl2N5O — CID 154902521

IUPAC[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)ncn2)C1
InChIInChI=1S/C18H27N5O.2ClH/c19-15-9-14(10-15)16-11-17(21-12-20-16)22-7-3-13(4-8-22)18(24)23-5-1-2-6-23;;/h11-15H,1-10,19H2;2*1H
InChIKeyRGDZPDGTVNTNFT-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.36
Rot. Bonds3

About [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride

[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride (PubChem CID 154902521) has the molecular formula C18H29Cl2N5O and a molecular weight of 402.37 g/mol. Its IUPAC name is [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
PubChem CID154902521
Molecular FormulaC18H29Cl2N5O
Molecular Weight402.37 g/mol
Exact Mass401.17
IUPAC Name[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
SMILESCl.Cl.NC1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)ncn2)C1
InChIInChI=1S/C18H27N5O.2ClH/c19-15-9-14(10-15)16-11-17(21-12-20-16)22-7-3-13(4-8-22)18(24)23-5-1-2-6-23;;/h11-15H,1-10,19H2;2*1H
InChIKeyRGDZPDGTVNTNFT-UHFFFAOYSA-N
XLogP2.36
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride with MolForge

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Related Compounds

[1-[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 91787107
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357867
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339
3-[6-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902532
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
3-[6-(2-azaspiro[5.5]undecan-2-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902759
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058

Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The IUPAC name of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride (CID 154902521) is [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride.
What is the SMILES notation for [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The canonical SMILES for [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride is Cl.Cl.NC1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)ncn2)C1.
What is the InChIKey of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride?
The InChIKey is RGDZPDGTVNTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.2ClH/c19-15-9-14(10-15)16-11-17(21-12-20-16)22-7-3-13(4-8-22)18(24)23-5-1-2-6-23;;/h11-15H,1-10,19H2;2*1H.
What are the key properties of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride?
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride has a molecular weight of 402.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride is sourced from PubChem (CID 154902521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).