5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H21N5O2 — CID 43751830

IUPAC5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1c(C(C)NCc2cn(C)c(=O)n(C)c2=O)cnn1C
InChIInChI=1S/C14H21N5O2/c1-9(12-7-16-19(5)10(12)2)15-6-11-8-17(3)14(21)18(4)13(11)20/h7-9,15H,6H2,1-5H3
InChIKeyFKMBYIQYSNZZKM-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.02
Rot. Bonds4

About 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43751830) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43751830
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1c(C(C)NCc2cn(C)c(=O)n(C)c2=O)cnn1C
InChIInChI=1S/C14H21N5O2/c1-9(12-7-16-19(5)10(12)2)15-6-11-8-17(3)14(21)18(4)13(11)20/h7-9,15H,6H2,1-5H3
InChIKeyFKMBYIQYSNZZKM-UHFFFAOYSA-N
XLogP-0.02
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
1,3-dimethyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]pyrimidine-2,4-dione
CID 81367065
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762184
5-[(4-methoxybutan-2-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 62733720
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzoic acid
CID 65347777

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43751830) is 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1c(C(C)NCc2cn(C)c(=O)n(C)c2=O)cnn1C.
What is the InChIKey of 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FKMBYIQYSNZZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9(12-7-16-19(5)10(12)2)15-6-11-8-17(3)14(21)18(4)13(11)20/h7-9,15H,6H2,1-5H3.
What are the key properties of 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 291.36 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43751830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).