N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide

C12H21N5O2 — CID 136659776

IUPACN-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCCCCCCNc1nc(N)[nH]c(=O)c1NC(C)=O
InChIInChI=1S/C12H21N5O2/c1-3-4-5-6-7-14-10-9(15-8(2)18)11(19)17-12(13)16-10/h3-7H2,1-2H3,(H,15,18)(H4,13,14,16,17,19)
InChIKeyVCHWLTLVPZOFMG-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.30
Rot. Bonds7

About N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide

N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide (PubChem CID 136659776) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
PubChem CID136659776
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCCCCCCNc1nc(N)[nH]c(=O)c1NC(C)=O
InChIInChI=1S/C12H21N5O2/c1-3-4-5-6-7-14-10-9(15-8(2)18)11(19)17-12(13)16-10/h3-7H2,1-2H3,(H,15,18)(H4,13,14,16,17,19)
InChIKeyVCHWLTLVPZOFMG-UHFFFAOYSA-N
XLogP1.30
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide (CID 136659776) is N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide is CCCCCCNc1nc(N)[nH]c(=O)c1NC(C)=O.
What is the InChIKey of N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide?
The InChIKey is VCHWLTLVPZOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-4-5-6-7-14-10-9(15-8(2)18)11(19)17-12(13)16-10/h3-7H2,1-2H3,(H,15,18)(H4,13,14,16,17,19).
What are the key properties of N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide?
N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(hexylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 136659776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).