4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine

C14H25N5 — CID 152780503

IUPAC4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine
SMILESCC1(C)CC(C2(N)C=CNC(N)=N2)CC2CCCN21
InChIInChI=1S/C14H25N5/c1-13(2)9-10(8-11-4-3-7-19(11)13)14(16)5-6-17-12(15)18-14/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H3,15,17,18)
InChIKeyXMMQZBAIAYQGFP-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.73
Rot. Bonds1

About 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine

4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 152780503) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine
PubChem CID152780503
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine
SMILESCC1(C)CC(C2(N)C=CNC(N)=N2)CC2CCCN21
InChIInChI=1S/C14H25N5/c1-13(2)9-10(8-11-4-3-7-19(11)13)14(16)5-6-17-12(15)18-14/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H3,15,17,18)
InChIKeyXMMQZBAIAYQGFP-UHFFFAOYSA-N
XLogP0.73
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine (CID 152780503) is 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine is CC1(C)CC(C2(N)C=CNC(N)=N2)CC2CCCN21.
What is the InChIKey of 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is XMMQZBAIAYQGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13(2)9-10(8-11-4-3-7-19(11)13)14(16)5-6-17-12(15)18-14/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H3,15,17,18).
What are the key properties of 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine?
4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152780503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).