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

C14H22N8 — CID 71681645

IUPAC4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1
InChIInChI=1S/C14H22N8/c1-10(2)9-20-14-19-6-4-12(22-14)17-8-7-16-11-3-5-18-13(15)21-11/h3-6,10H,7-9H2,1-2H3,(H3,15,16,18,21)(H2,17,19,20,22)
InChIKeyYCYCFVJENBWWLU-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.44
Rot. Bonds8

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

4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 71681645) has the molecular formula C14H22N8 and a molecular weight of 302.39 g/mol. Its IUPAC name is 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
PubChem CID71681645
Molecular FormulaC14H22N8
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Name4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
SMILESCC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1
InChIInChI=1S/C14H22N8/c1-10(2)9-20-14-19-6-4-12(22-14)17-8-7-16-11-3-5-18-13(15)21-11/h3-6,10H,7-9H2,1-2H3,(H3,15,16,18,21)(H2,17,19,20,22)
InChIKeyYCYCFVJENBWWLU-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'}

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

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
2,2'-Bipyrimidine
CID 123444
N-methylpyrimidin-4-amine
CID 519971
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
N2-isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 53233801
n4-Isobutyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 54585781
N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 54754351
N-(3,3-dimethylbutyl)-6-(piperazin-1-yl)pyrimidin-4-amine
CID 57394628

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine (CID 71681645) is 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine is CC(C)CNc1nccc(NCCNc2ccnc(N)n2)n1.
What is the InChIKey of 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is YCYCFVJENBWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8/c1-10(2)9-20-14-19-6-4-12(22-14)17-8-7-16-11-3-5-18-13(15)21-11/h3-6,10H,7-9H2,1-2H3,(H3,15,16,18,21)(H2,17,19,20,22).
What are the key properties of 4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine?
4-N-[2-[[2-(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-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71681645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).