N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide

C13H21N5O3 — CID 170384015

IUPACN-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide
SMILESCCC1OC(N(C=O)c2nc(N)[nH]c(=O)c2NC)C[C@H]1C
InChIInChI=1S/C13H21N5O3/c1-4-8-7(2)5-9(21-8)18(6-19)11-10(15-3)12(20)17-13(14)16-11/h6-9,15H,4-5H2,1-3H3,(H3,14,16,17,20)/t7-,8?,9?/m1/s1
InChIKeyHKTFJGYLQHAWAL-AFPNSQJFSA-N
MW295.34 g/mol
LogP0.52
Rot. Bonds5

About N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide

N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide (PubChem CID 170384015) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide
PubChem CID170384015
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide
SMILESCCC1OC(N(C=O)c2nc(N)[nH]c(=O)c2NC)C[C@H]1C
InChIInChI=1S/C13H21N5O3/c1-4-8-7(2)5-9(21-8)18(6-19)11-10(15-3)12(20)17-13(14)16-11/h6-9,15H,4-5H2,1-3H3,(H3,14,16,17,20)/t7-,8?,9?/m1/s1
InChIKeyHKTFJGYLQHAWAL-AFPNSQJFSA-N
XLogP0.52
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide?
The IUPAC name of N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide (CID 170384015) is N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide.
What is the SMILES notation for N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide?
The canonical SMILES for N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide is CCC1OC(N(C=O)c2nc(N)[nH]c(=O)c2NC)C[C@H]1C.
What is the InChIKey of N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide?
The InChIKey is HKTFJGYLQHAWAL-AFPNSQJFSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-4-8-7(2)5-9(21-8)18(6-19)11-10(15-3)12(20)17-13(14)16-11/h6-9,15H,4-5H2,1-3H3,(H3,14,16,17,20)/t7-,8?,9?/m1/s1.
What are the key properties of N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide?
N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide has a molecular weight of 295.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(methylamino)-6-oxo-1H-pyrimidin-4-yl]-N-[(4R)-5-ethyl-4-methyloxolan-2-yl]formamide is sourced from PubChem (CID 170384015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).