5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine

C13H17N5 — CID 13043080

IUPAC5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C13H17N5/c1-18(2)11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,7H2,1-2H3,(H4,14,15,16,17)
InChIKeyXXIDWUQHWYJBMQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.30
Rot. Bonds3

About 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine

5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 13043080) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID13043080
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C13H17N5/c1-18(2)11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,7H2,1-2H3,(H4,14,15,16,17)
InChIKeyXXIDWUQHWYJBMQ-UHFFFAOYSA-N
XLogP1.30
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Rilpivirine Hydrochloride
CID 11711114
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
5-Phenyl-2,4-pyrimidinediamine
CID 134761
Amprolium ion
CID 2178
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine (CID 13043080) is 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine is CN(C)c1ccc(Cc2cnc(N)nc2N)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XXIDWUQHWYJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18(2)11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,7H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 13043080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).