6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C16H28N6 — CID 67157234

IUPAC6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(N2CCC3(CCNCC3)C2)nc(N)n1
InChIInChI=1S/C16H28N6/c1-12(2)10-19-13-9-14(21-15(17)20-13)22-8-5-16(11-22)3-6-18-7-4-16/h9,12,18H,3-8,10-11H2,1-2H3,(H3,17,19,20,21)
InChIKeyLXADDATZORSQQQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.71
Rot. Bonds4

About 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 67157234) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID67157234
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(N2CCC3(CCNCC3)C2)nc(N)n1
InChIInChI=1S/C16H28N6/c1-12(2)10-19-13-9-14(21-15(17)20-13)22-8-5-16(11-22)3-6-18-7-4-16/h9,12,18H,3-8,10-11H2,1-2H3,(H3,17,19,20,21)
InChIKeyLXADDATZORSQQQ-UHFFFAOYSA-N
XLogP1.71
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 67157234) is 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1cc(N2CCC3(CCNCC3)C2)nc(N)n1.
What is the InChIKey of 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is LXADDATZORSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-12(2)10-19-13-9-14(21-15(17)20-13)22-8-5-16(11-22)3-6-18-7-4-16/h9,12,18H,3-8,10-11H2,1-2H3,(H3,17,19,20,21).
What are the key properties of 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 304.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67157234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).