N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide

C5H9N5O2 — CID 56616942

IUPACN-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide
SMILESNC1=NC(N)NC(=O)C1NC=O
InChIInChI=1S/C5H9N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2,5H,7H2,(H2,6,9)(H,8,11)(H,10,12)
InChIKeyCXYJQMMDNHZOBO-UHFFFAOYSA-N
MW171.16 g/mol
LogP-3.17
Rot. Bonds2

About N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide

N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide (PubChem CID 56616942) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide
PubChem CID56616942
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide
SMILESNC1=NC(N)NC(=O)C1NC=O
InChIInChI=1S/C5H9N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2,5H,7H2,(H2,6,9)(H,8,11)(H,10,12)
InChIKeyCXYJQMMDNHZOBO-UHFFFAOYSA-N
XLogP-3.17
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-3.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-Diamino-4,5-dihydro-4-oxo-5-pyrimidinyl)formamide
CID 122328
7,8-Dihydroxanthopterin
CID 136648281
(4-Hydroxy-2,6-diimino-1,2,5,6-tetrahydropyrimidin-5-yl)methanimidic acid
CID 139031186
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
3-Amino-2-(formylamino)-3-iminopropanamide
CID 44719376
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
2-Amino-4-oxo-2,3,4a,8-tetrahydropteridine-5-carbaldehyde
CID 87627145
N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide
CID 152743479
(2-amino-4,6-dioxo-1H-pyrimidin-5-yl)carbamoylazanium
CID 163798365
N-(4-amino-1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetamide
CID 10307934
5,6-diamino-5H-pyrimidine-2,4-dione
CID 45080205

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide?
The IUPAC name of N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide (CID 56616942) is N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide is NC1=NC(N)NC(=O)C1NC=O.
What is the InChIKey of N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide?
The InChIKey is CXYJQMMDNHZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2,5H,7H2,(H2,6,9)(H,8,11)(H,10,12).
What are the key properties of N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide?
N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide has a molecular weight of 171.16 g/mol, XLogP of -3.17, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide is sourced from PubChem (CID 56616942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).