4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine

C15H18N4O — CID 171359095

IUPAC4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N[C@@H]2COc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O/c1-10-7-14(19-15(16-2)17-10)18-12-8-11-5-3-4-6-13(11)20-9-12/h3-7,12H,8-9H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyBJDKHBXCYJEBJV-LBPRGKRZSA-N
MW270.34 g/mol
LogP2.24
Rot. Bonds3

About 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 171359095) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID171359095
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N[C@@H]2COc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O/c1-10-7-14(19-15(16-2)17-10)18-12-8-11-5-3-4-6-13(11)20-9-12/h3-7,12H,8-9H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1
InChIKeyBJDKHBXCYJEBJV-LBPRGKRZSA-N
XLogP2.24
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 171359095) is 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(N[C@@H]2COc3ccccc3C2)n1.
What is the InChIKey of 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is BJDKHBXCYJEBJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-14(19-15(16-2)17-10)18-12-8-11-5-3-4-6-13(11)20-9-12/h3-7,12H,8-9H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1.
What are the key properties of 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 171359095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).