4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine

C18H31N5 — CID 72899213

IUPAC4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine
SMILESCCc1nc(N)nc(N2CCCC3(CCN(C)CC3)CC2)c1C
InChIInChI=1S/C18H31N5/c1-4-15-14(2)16(21-17(19)20-15)23-10-5-6-18(9-13-23)7-11-22(3)12-8-18/h4-13H2,1-3H3,(H2,19,20,21)
InChIKeyPOXWJYHKYSZXJI-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.63
Rot. Bonds2

About 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine

4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine (PubChem CID 72899213) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine
PubChem CID72899213
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine
SMILESCCc1nc(N)nc(N2CCCC3(CCN(C)CC3)CC2)c1C
InChIInChI=1S/C18H31N5/c1-4-15-14(2)16(21-17(19)20-15)23-10-5-6-18(9-13-23)7-11-22(3)12-8-18/h4-13H2,1-3H3,(H2,19,20,21)
InChIKeyPOXWJYHKYSZXJI-UHFFFAOYSA-N
XLogP2.63
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine?
The IUPAC name of 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine (CID 72899213) is 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine is CCc1nc(N)nc(N2CCCC3(CCN(C)CC3)CC2)c1C.
What is the InChIKey of 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine?
The InChIKey is POXWJYHKYSZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-4-15-14(2)16(21-17(19)20-15)23-10-5-6-18(9-13-23)7-11-22(3)12-8-18/h4-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine?
4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine has a molecular weight of 317.48 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-6-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)pyrimidin-2-amine is sourced from PubChem (CID 72899213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).