4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

C17H20N6O — CID 175733728

IUPAC4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCOCCn1cc(Nc2nccc(NCc3ccccc3)n2)cn1
InChIInChI=1S/C17H20N6O/c1-24-10-9-23-13-15(12-20-23)21-17-18-8-7-16(22-17)19-11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H2,18,19,21,22)
InChIKeyUIKMXTLXGHMOIC-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.68
Rot. Bonds8

About 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 175733728) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID175733728
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCOCCn1cc(Nc2nccc(NCc3ccccc3)n2)cn1
InChIInChI=1S/C17H20N6O/c1-24-10-9-23-13-15(12-20-23)21-17-18-8-7-16(22-17)19-11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H2,18,19,21,22)
InChIKeyUIKMXTLXGHMOIC-UHFFFAOYSA-N
XLogP2.68
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 133442537
4-N-[(2-methoxy-3-pyridinyl)methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 175733738
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112885806
N-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162663326
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
4-N-benzyl-5-chloro-2-N-[1-(2-fluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 118155239
4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (CID 175733728) is 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is COCCn1cc(Nc2nccc(NCc3ccccc3)n2)cn1.
What is the InChIKey of 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is UIKMXTLXGHMOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-24-10-9-23-13-15(12-20-23)21-17-18-8-7-16(22-17)19-11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H2,18,19,21,22).
What are the key properties of 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 324.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 175733728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).