butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

C17H22N4O5 — CID 53234792

IUPACbutanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NC(C)C.O=C(O)CCC(=O)O
InChIInChI=1S/C13H16N4O.C4H6O4/c1-9(2)16-13-11(18-3)8-15-12(17-13)10-6-4-5-7-14-10;5-3(6)1-2-4(7)8/h4-9H,1-3H3,(H,15,16,17);1-2H2,(H,5,6)(H,7,8)
InChIKeyDEFWIRVGQUZUIL-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.30
Rot. Bonds7

About butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine

butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 53234792) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Namebutanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID53234792
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Namebutanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NC(C)C.O=C(O)CCC(=O)O
InChIInChI=1S/C13H16N4O.C4H6O4/c1-9(2)16-13-11(18-3)8-15-12(17-13)10-6-4-5-7-14-10;5-3(6)1-2-4(7)8/h4-9H,1-3H3,(H,15,16,17);1-2H2,(H,5,6)(H,7,8)
InChIKeyDEFWIRVGQUZUIL-UHFFFAOYSA-N
XLogP2.30
TPSA134.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine (CID 53234792) is butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NC(C)C.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is DEFWIRVGQUZUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C4H6O4/c1-9(2)16-13-11(18-3)8-15-12(17-13)10-6-4-5-7-14-10;5-3(6)1-2-4(7)8/h4-9H,1-3H3,(H,15,16,17);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine?
butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 362.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;5-methoxy-N-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 53234792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).