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

C14H19N5O — CID 142576028

IUPAC5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H19N5O/c1-4-9-5-11(10(6-17-9)8(2)3)20-12-7-18-14(16)19-13(12)15/h5-8H,4H2,1-3H3,(H4,15,16,18,19)
InChIKeyZQDHWIRHCQDPAE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.51
Rot. Bonds4

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

5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 142576028) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID142576028
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H19N5O/c1-4-9-5-11(10(6-17-9)8(2)3)20-12-7-18-14(16)19-13(12)15/h5-8H,4H2,1-3H3,(H4,15,16,18,19)
InChIKeyZQDHWIRHCQDPAE-UHFFFAOYSA-N
XLogP2.51
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 142576028) is 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is CCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cn1.
What is the InChIKey of 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is ZQDHWIRHCQDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-9-5-11(10(6-17-9)8(2)3)20-12-7-18-14(16)19-13(12)15/h5-8H,4H2,1-3H3,(H4,15,16,18,19).
What are the key properties of 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine?
5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).