5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine

C14H22N4 — CID 68869559

IUPAC5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
SMILESCC12CCC(C1)C(C)(C)C2c1cnc(N)nc1N
InChIInChI=1S/C14H22N4/c1-13(2)8-4-5-14(3,6-8)10(13)9-7-17-12(16)18-11(9)15/h7-8,10H,4-6H2,1-3H3,(H4,15,16,17,18)
InChIKeyMTILDRLUQXKVIA-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.57
Rot. Bonds1

About 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine

5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine (PubChem CID 68869559) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
PubChem CID68869559
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
SMILESCC12CCC(C1)C(C)(C)C2c1cnc(N)nc1N
InChIInChI=1S/C14H22N4/c1-13(2)8-4-5-14(3,6-8)10(13)9-7-17-12(16)18-11(9)15/h7-8,10H,4-6H2,1-3H3,(H4,15,16,17,18)
InChIKeyMTILDRLUQXKVIA-UHFFFAOYSA-N
XLogP2.57
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine (CID 68869559) is 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine is CC12CCC(C1)C(C)(C)C2c1cnc(N)nc1N.
What is the InChIKey of 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine?
The InChIKey is MTILDRLUQXKVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-13(2)8-4-5-14(3,6-8)10(13)9-7-17-12(16)18-11(9)15/h7-8,10H,4-6H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine?
5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68869559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).