N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C14H20IN5 — CID 103573036

IUPACN,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(CC)c(I)c(NCC)n2)cn1
InChIInChI=1S/C14H20IN5/c1-4-7-20-9-10(8-17-20)13-18-11(5-2)12(15)14(19-13)16-6-3/h8-9H,4-7H2,1-3H3,(H,16,18,19)
InChIKeySEULYHYBFBRKMX-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.35
Rot. Bonds6

About N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine

N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 103573036) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID103573036
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC NameN,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(CC)c(I)c(NCC)n2)cn1
InChIInChI=1S/C14H20IN5/c1-4-7-20-9-10(8-17-20)13-18-11(5-2)12(15)14(19-13)16-6-3/h8-9H,4-7H2,1-3H3,(H,16,18,19)
InChIKeySEULYHYBFBRKMX-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
2-[4-(dimethylamino)phenyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296199
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977825
2-(4,5-dibromofuran-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66296963
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052
N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977824

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 103573036) is N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCn1cc(-c2nc(CC)c(I)c(NCC)n2)cn1.
What is the InChIKey of N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is SEULYHYBFBRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN5/c1-4-7-20-9-10(8-17-20)13-18-11(5-2)12(15)14(19-13)16-6-3/h8-9H,4-7H2,1-3H3,(H,16,18,19).
What are the key properties of N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 385.25 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 103573036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).