N-(2-butoxyethyl)-5-nitropyrimidin-2-amine

C10H16N4O3 — CID 61169725

IUPACN-(2-butoxyethyl)-5-nitropyrimidin-2-amine
SMILESCCCCOCCNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-2-3-5-17-6-4-11-10-12-7-9(8-13-10)14(15)16/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyAKSQPZZXQMSEBF-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.61
Rot. Bonds8

About N-(2-butoxyethyl)-5-nitropyrimidin-2-amine

N-(2-butoxyethyl)-5-nitropyrimidin-2-amine (PubChem CID 61169725) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-butoxyethyl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-5-nitropyrimidin-2-amine
PubChem CID61169725
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(2-butoxyethyl)-5-nitropyrimidin-2-amine
SMILESCCCCOCCNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-2-3-5-17-6-4-11-10-12-7-9(8-13-10)14(15)16/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyAKSQPZZXQMSEBF-UHFFFAOYSA-N
XLogP1.61
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitropyrimidin-2-amine
CID 76490
2-Methoxy-5-nitropyrimidine
CID 352900
4-N-butyl-5-nitropyrimidine-2,4-diamine
CID 257356
2-Ethoxy-5-nitropyrimidine
CID 295902
Pyrimidine, 2-t-butylamino-5-nitro-
CID 119086088
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
N4-(3-morpholinopropyl)-5-nitropyrimidine-4,6-diamine
CID 2959953
2-[(4-Amino-5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 52992955
2-(Dimethylamino)-5-(nitro)-4-(methylamino)pyrimidine
CID 4606221
N-butyl-5-nitropyrimidin-2-amine
CID 61146570
Pyrimidine, 4-t-butylamino-5-nitro-
CID 131284669
4-(5-Nitropyrimidin-2-yl)morpholine
CID 2842204

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(2-butoxyethyl)-5-nitropyrimidin-2-amine (CID 61169725) is N-(2-butoxyethyl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-5-nitropyrimidin-2-amine is CCCCOCCNc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-butoxyethyl)-5-nitropyrimidin-2-amine?
The InChIKey is AKSQPZZXQMSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-5-17-6-4-11-10-12-7-9(8-13-10)14(15)16/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-(2-butoxyethyl)-5-nitropyrimidin-2-amine?
N-(2-butoxyethyl)-5-nitropyrimidin-2-amine has a molecular weight of 240.26 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 61169725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).