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

C19H32N6 — CID 91788988

IUPAC4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(C2CC(N)C2)cc(N2CCC(CCN3CCCC3)CC2)n1
InChIInChI=1S/C19H32N6/c20-16-11-15(12-16)17-13-18(23-19(21)22-17)25-9-4-14(5-10-25)3-8-24-6-1-2-7-24/h13-16H,1-12,20H2,(H2,21,22,23)
InChIKeyGFENYSDLZGZKCX-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.97
Rot. Bonds5

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

4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 91788988) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID91788988
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(C2CC(N)C2)cc(N2CCC(CCN3CCCC3)CC2)n1
InChIInChI=1S/C19H32N6/c20-16-11-15(12-16)17-13-18(23-19(21)22-17)25-9-4-14(5-10-25)3-8-24-6-1-2-7-24/h13-16H,1-12,20H2,(H2,21,22,23)
InChIKeyGFENYSDLZGZKCX-UHFFFAOYSA-N
XLogP1.97
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine (CID 91788988) is 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine is Nc1nc(C2CC(N)C2)cc(N2CCC(CCN3CCCC3)CC2)n1.
What is the InChIKey of 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is GFENYSDLZGZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c20-16-11-15(12-16)17-13-18(23-19(21)22-17)25-9-4-14(5-10-25)3-8-24-6-1-2-7-24/h13-16H,1-12,20H2,(H2,21,22,23).
What are the key properties of 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine?
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 344.51 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 91788988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).