N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H13N5 — CID 174669328

IUPACN-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C13H13N5/c14-7-9-1-3-10(4-2-9)18-13-11-5-6-15-12(11)16-8-17-13/h1-6,8H,7,14H2,(H2,15,16,17,18)
InChIKeyBRWQSKIQIJNALB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.16
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174669328) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174669328
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C13H13N5/c14-7-9-1-3-10(4-2-9)18-13-11-5-6-15-12(11)16-8-17-13/h1-6,8H,7,14H2,(H2,15,16,17,18)
InChIKeyBRWQSKIQIJNALB-UHFFFAOYSA-N
XLogP2.16
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875100
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 162642999
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10198864
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
N-[4-(2,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464576
6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-3H-1,3-benzothiazol-2-one
CID 73442185
(3-chlorophenyl)methanamine;3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)furan-2-carboxylic acid
CID 70925924
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-3H-isoindole-1-carbonitrile
CID 161103654
N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 57096235

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174669328) is N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is NCc1ccc(Nc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BRWQSKIQIJNALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-7-9-1-3-10(4-2-9)18-13-11-5-6-15-12(11)16-8-17-13/h1-6,8H,7,14H2,(H2,15,16,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174669328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).