5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine

C14H20N6O — CID 142576041

IUPAC5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(N(C)C)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C14H20N6O/c1-8(2)9-6-17-12(20(3)4)5-10(9)21-11-7-18-14(16)19-13(11)15/h5-8H,1-4H3,(H4,15,16,18,19)
InChIKeyOAHSCRYMJYQLQT-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.02
Rot. Bonds4

About 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine

5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 142576041) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID142576041
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(N(C)C)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C14H20N6O/c1-8(2)9-6-17-12(20(3)4)5-10(9)21-11-7-18-14(16)19-13(11)15/h5-8H,1-4H3,(H4,15,16,18,19)
InChIKeyOAHSCRYMJYQLQT-UHFFFAOYSA-N
XLogP2.02
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 142576041) is 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(N(C)C)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is OAHSCRYMJYQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8(2)9-6-17-12(20(3)4)5-10(9)21-11-7-18-14(16)19-13(11)15/h5-8H,1-4H3,(H4,15,16,18,19).
What are the key properties of 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).