N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine

C17H27N5O3 — CID 3731335

IUPACN-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CC1)c1ncnc(N2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C17H27N5O3/c1-4-7-20(10-14-5-6-14)16-15(22(23)24)17(19-11-18-16)21-8-12(2)25-13(3)9-21/h11-14H,4-10H2,1-3H3
InChIKeyHAXCHJXWPAVNBP-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.62
Rot. Bonds7

About N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine

N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 3731335) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
PubChem CID3731335
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCN(CC1CC1)c1ncnc(N2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C17H27N5O3/c1-4-7-20(10-14-5-6-14)16-15(22(23)24)17(19-11-18-16)21-8-12(2)25-13(3)9-21/h11-14H,4-10H2,1-3H3
InChIKeyHAXCHJXWPAVNBP-UHFFFAOYSA-N
XLogP2.62
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)-5-nitro-N-propylpyrimidin-4-amine
CID 3747252
2-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide
CID 3733977
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 38739450
N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23488659
[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939074
ethyl 4-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 3717283
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
N,N-dibenzyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23488279
N-butyl-N-methyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23489511
1-[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 23491857
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
6-(azepan-1-yl)-N-butyl-N-methyl-5-nitropyrimidin-4-amine
CID 23489696

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine (CID 3731335) is N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine is CCCN(CC1CC1)c1ncnc(N2CC(C)OC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is HAXCHJXWPAVNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-7-20(10-14-5-6-14)16-15(22(23)24)17(19-11-18-16)21-8-12(2)25-13(3)9-21/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 3731335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).