4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine

C16H21N5 — CID 117091195

IUPAC4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cccc(N(C)C)c2)nc1NC1CC1
InChIInChI=1S/C16H21N5/c1-11-10-17-16(20-15(11)18-12-7-8-12)19-13-5-4-6-14(9-13)21(2)3/h4-6,9-10,12H,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyMJSCUXUYPHFDIZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.17
Rot. Bonds5

About 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 117091195) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
PubChem CID117091195
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cccc(N(C)C)c2)nc1NC1CC1
InChIInChI=1S/C16H21N5/c1-11-10-17-16(20-15(11)18-12-7-8-12)19-13-5-4-6-14(9-13)21(2)3/h4-6,9-10,12H,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyMJSCUXUYPHFDIZ-UHFFFAOYSA-N
XLogP3.17
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine (CID 117091195) is 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(Nc2cccc(N(C)C)c2)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is MJSCUXUYPHFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-10-17-16(20-15(11)18-12-7-8-12)19-13-5-4-6-14(9-13)21(2)3/h4-6,9-10,12H,7-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 117091195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).