2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine

C15H24N6 — CID 155534519

IUPAC2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)CNc1nccc(NCCCc2cnc[nH]2)n1
InChIInChI=1S/C15H24N6/c1-15(2,3)10-19-14-18-8-6-13(21-14)17-7-4-5-12-9-16-11-20-12/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,20)(H2,17,18,19,21)
InChIKeyGHBUBJMRVNPMSE-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.70
Rot. Bonds7

About 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine

2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 155534519) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine
PubChem CID155534519
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)CNc1nccc(NCCCc2cnc[nH]2)n1
InChIInChI=1S/C15H24N6/c1-15(2,3)10-19-14-18-8-6-13(21-14)17-7-4-5-12-9-16-11-20-12/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,20)(H2,17,18,19,21)
InChIKeyGHBUBJMRVNPMSE-UHFFFAOYSA-N
XLogP2.70
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638009
N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865738
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
CID 21193542
N-(2,2-dimethylpropyl)-1H-imidazol-5-amine
CID 130635294
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
CID 130587444
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine (CID 155534519) is 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine is CC(C)(C)CNc1nccc(NCCCc2cnc[nH]2)n1.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is GHBUBJMRVNPMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-15(2,3)10-19-14-18-8-6-13(21-14)17-7-4-5-12-9-16-11-20-12/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine?
2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 155534519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).