4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine

C18H29N5 — CID 91795077

IUPAC4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(C2CC(N)C2)cc(N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C18H29N5/c1-22(2)17-20-15(13-9-14(19)10-13)11-16(21-17)23-8-7-18(12-23)5-3-4-6-18/h11,13-14H,3-10,12,19H2,1-2H3
InChIKeyKXNKOIWPPVIHPI-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.52
Rot. Bonds3

About 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine

4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 91795077) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID91795077
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(C2CC(N)C2)cc(N2CCC3(CCCC3)C2)n1
InChIInChI=1S/C18H29N5/c1-22(2)17-20-15(13-9-14(19)10-13)11-16(21-17)23-8-7-18(12-23)5-3-4-6-18/h11,13-14H,3-10,12,19H2,1-2H3
InChIKeyKXNKOIWPPVIHPI-UHFFFAOYSA-N
XLogP2.52
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine (CID 91795077) is 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nc(C2CC(N)C2)cc(N2CCC3(CCCC3)C2)n1.
What is the InChIKey of 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is KXNKOIWPPVIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-22(2)17-20-15(13-9-14(19)10-13)11-16(21-17)23-8-7-18(12-23)5-3-4-6-18/h11,13-14H,3-10,12,19H2,1-2H3.
What are the key properties of 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine?
4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 315.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)-6-(2-azaspiro[4.4]nonan-2-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 91795077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).