[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol

C13H19N5O3 — CID 60504541

IUPAC[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol
SMILESO=[N+]([O-])c1cnc(N2CCC(CO)CC2)nc1NC1CC1
InChIInChI=1S/C13H19N5O3/c19-8-9-3-5-17(6-4-9)13-14-7-11(18(20)21)12(16-13)15-10-1-2-10/h7,9-10,19H,1-6,8H2,(H,14,15,16)
InChIKeyAUHNUMQQMCTDQW-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.17
Rot. Bonds5

About [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol

[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 60504541) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID60504541
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol
SMILESO=[N+]([O-])c1cnc(N2CCC(CO)CC2)nc1NC1CC1
InChIInChI=1S/C13H19N5O3/c19-8-9-3-5-17(6-4-9)13-14-7-11(18(20)21)12(16-13)15-10-1-2-10/h7,9-10,19H,1-6,8H2,(H,14,15,16)
InChIKeyAUHNUMQQMCTDQW-UHFFFAOYSA-N
XLogP1.17
TPSA104.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol (CID 60504541) is [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol is O=[N+]([O-])c1cnc(N2CCC(CO)CC2)nc1NC1CC1.
What is the InChIKey of [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is AUHNUMQQMCTDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c19-8-9-3-5-17(6-4-9)13-14-7-11(18(20)21)12(16-13)15-10-1-2-10/h7,9-10,19H,1-6,8H2,(H,14,15,16).
What are the key properties of [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 293.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 60504541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).