(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C14H21N5O — CID 97187638

IUPAC(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(C)c2c(NC[C@H](O)CN(C)C)ncnc2n1
InChIInChI=1S/C14H21N5O/c1-9-5-10(2)18-14-12(9)13(16-8-17-14)15-6-11(20)7-19(3)4/h5,8,11,20H,6-7H2,1-4H3,(H,15,16,17,18)/t11-/m0/s1
InChIKeyDCJXJDUIMYDOGS-NSHDSACASA-N
MW275.36 g/mol
LogP0.98
Rot. Bonds5

About (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 97187638) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID97187638
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(C)c2c(NC[C@H](O)CN(C)C)ncnc2n1
InChIInChI=1S/C14H21N5O/c1-9-5-10(2)18-14-12(9)13(16-8-17-14)15-6-11(20)7-19(3)4/h5,8,11,20H,6-7H2,1-4H3,(H,15,16,17,18)/t11-/m0/s1
InChIKeyDCJXJDUIMYDOGS-NSHDSACASA-N
XLogP0.98
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 97187638) is (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is Cc1cc(C)c2c(NC[C@H](O)CN(C)C)ncnc2n1.
What is the InChIKey of (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is DCJXJDUIMYDOGS-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-5-10(2)18-14-12(9)13(16-8-17-14)15-6-11(20)7-19(3)4/h5,8,11,20H,6-7H2,1-4H3,(H,15,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 275.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 97187638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).