4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

C13H14N4 — CID 5216989

IUPAC4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cccc(-c2nc(N)nc3c2CCN3)c1
InChIInChI=1S/C13H14N4/c1-8-3-2-4-9(7-8)11-10-5-6-15-12(10)17-13(14)16-11/h2-4,7H,5-6H2,1H3,(H3,14,15,16,17)
InChIKeyDRFYIJGITWQUAT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.00
Rot. Bonds1

About 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 5216989) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID5216989
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cccc(-c2nc(N)nc3c2CCN3)c1
InChIInChI=1S/C13H14N4/c1-8-3-2-4-9(7-8)11-10-5-6-15-12(10)17-13(14)16-11/h2-4,7H,5-6H2,1H3,(H3,14,15,16,17)
InChIKeyDRFYIJGITWQUAT-UHFFFAOYSA-N
XLogP2.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5244130
4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5022945
4-[4-chloro-3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 4038280
4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4266444
1,3-bis(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4539869
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 63866847
4-(2,3-dichlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3584449
1-(3,4-dichlorophenyl)-3-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3663958
3-(3-chlorophenyl)-1-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4263144
3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823512
4-methyl-6-(3-methylphenyl)quinazolin-2-amine
CID 118084368

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 5216989) is 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cccc(-c2nc(N)nc3c2CCN3)c1.
What is the InChIKey of 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is DRFYIJGITWQUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-3-2-4-9(7-8)11-10-5-6-15-12(10)17-13(14)16-11/h2-4,7H,5-6H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 5216989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).