3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol

C16H25N5O — CID 170188121

IUPAC3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(C)Nc1nc(C(C)C)cc2cnc(NCCCO)nc12
InChIInChI=1S/C16H25N5O/c1-10(2)13-8-12-9-18-16(17-6-5-7-22)21-14(12)15(20-13)19-11(3)4/h8-11,22H,5-7H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKeyJPMFBGZACOCDAJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.76
Rot. Bonds7

About 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol

3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 170188121) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol
PubChem CID170188121
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(C)Nc1nc(C(C)C)cc2cnc(NCCCO)nc12
InChIInChI=1S/C16H25N5O/c1-10(2)13-8-12-9-18-16(17-6-5-7-22)21-14(12)15(20-13)19-11(3)4/h8-11,22H,5-7H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKeyJPMFBGZACOCDAJ-UHFFFAOYSA-N
XLogP2.76
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol (CID 170188121) is 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol is CC(C)Nc1nc(C(C)C)cc2cnc(NCCCO)nc12.
What is the InChIKey of 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is JPMFBGZACOCDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(2)13-8-12-9-18-16(17-6-5-7-22)21-14(12)15(20-13)19-11(3)4/h8-11,22H,5-7H2,1-4H3,(H,19,20)(H,17,18,21).
What are the key properties of 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol?
3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 303.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-propan-2-yl-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 170188121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).