4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one

C17H29N5O2 — CID 50974711

IUPAC4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one
SMILESCC(C)Oc1cc(N(C)CC2CC(=O)N(C(C)(C)C)C2)nc(N)n1
InChIInChI=1S/C17H29N5O2/c1-11(2)24-14-8-13(19-16(18)20-14)21(6)9-12-7-15(23)22(10-12)17(3,4)5/h8,11-12H,7,9-10H2,1-6H3,(H2,18,19,20)
InChIKeyOINZUTNNWUWNPB-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.93
Rot. Bonds5

About 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one

4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one (PubChem CID 50974711) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one
PubChem CID50974711
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one
SMILESCC(C)Oc1cc(N(C)CC2CC(=O)N(C(C)(C)C)C2)nc(N)n1
InChIInChI=1S/C17H29N5O2/c1-11(2)24-14-8-13(19-16(18)20-14)21(6)9-12-7-15(23)22(10-12)17(3,4)5/h8,11-12H,7,9-10H2,1-6H3,(H2,18,19,20)
InChIKeyOINZUTNNWUWNPB-UHFFFAOYSA-N
XLogP1.93
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one?
The IUPAC name of 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one (CID 50974711) is 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one is CC(C)Oc1cc(N(C)CC2CC(=O)N(C(C)(C)C)C2)nc(N)n1.
What is the InChIKey of 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one?
The InChIKey is OINZUTNNWUWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-11(2)24-14-8-13(19-16(18)20-14)21(6)9-12-7-15(23)22(10-12)17(3,4)5/h8,11-12H,7,9-10H2,1-6H3,(H2,18,19,20).
What are the key properties of 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one?
4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]methyl]-1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 50974711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).