4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde

C10H10ClN5O — CID 82873974

IUPAC4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCn1ccc(CNc2ncnc(Cl)c2C=O)n1
InChIInChI=1S/C10H10ClN5O/c1-16-3-2-7(15-16)4-12-10-8(5-17)9(11)13-6-14-10/h2-3,5-6H,4H2,1H3,(H,12,13,14)
InChIKeyUOWDBJOEGOSEHQ-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.29
Rot. Bonds4

About 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 82873974) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID82873974
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCn1ccc(CNc2ncnc(Cl)c2C=O)n1
InChIInChI=1S/C10H10ClN5O/c1-16-3-2-7(15-16)4-12-10-8(5-17)9(11)13-6-14-10/h2-3,5-6H,4H2,1H3,(H,12,13,14)
InChIKeyUOWDBJOEGOSEHQ-UHFFFAOYSA-N
XLogP1.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155
4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551
4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369011
4-chloro-6-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 114170948
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 102751690
4-chloro-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106193137
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369207
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
4-N-[(1-methylpyrazol-3-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 82875706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde (CID 82873974) is 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde is Cn1ccc(CNc2ncnc(Cl)c2C=O)n1.
What is the InChIKey of 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is UOWDBJOEGOSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-16-3-2-7(15-16)4-12-10-8(5-17)9(11)13-6-14-10/h2-3,5-6H,4H2,1H3,(H,12,13,14).
What are the key properties of 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 251.68 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 82873974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).