4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine

C14H22N8 — CID 71681802

IUPAC4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1
InChIInChI=1S/C14H22N8/c1-10(2)8-19-13-7-12(20-9-21-13)17-6-5-16-11-3-4-18-14(15)22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H3,15,16,18,22)(H2,17,19,20,21)
InChIKeyUROJMCFHZJYHCP-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.44
Rot. Bonds8

About 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine

4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 71681802) has the molecular formula C14H22N8 and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
PubChem CID71681802
Molecular FormulaC14H22N8
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Name4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1
InChIInChI=1S/C14H22N8/c1-10(2)8-19-13-7-12(20-9-21-13)17-6-5-16-11-3-4-18-14(15)22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H3,15,16,18,22)(H2,17,19,20,21)
InChIKeyUROJMCFHZJYHCP-UHFFFAOYSA-N
XLogP1.44
TPSA113.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine (CID 71681802) is 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine is CC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1.
What is the InChIKey of 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is UROJMCFHZJYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8/c1-10(2)8-19-13-7-12(20-9-21-13)17-6-5-16-11-3-4-18-14(15)22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H3,15,16,18,22)(H2,17,19,20,21).
What are the key properties of 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 302.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71681802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).