6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine

C12H18N6 — CID 82874582

IUPAC6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2ccn(C)n2)c1C
InChIInChI=1S/C12H18N6/c1-4-13-11-9(2)12(16-8-15-11)14-7-10-5-6-18(3)17-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16)
InChIKeySIIWMQPPFSEPEQ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.56
Rot. Bonds5

About 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 82874582) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID82874582
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2ccn(C)n2)c1C
InChIInChI=1S/C12H18N6/c1-4-13-11-9(2)12(16-8-15-11)14-7-10-5-6-18(3)17-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16)
InChIKeySIIWMQPPFSEPEQ-UHFFFAOYSA-N
XLogP1.56
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 82873932
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
6-hydrazinyl-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874497
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 82873974
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874404
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 82874582) is 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2ccn(C)n2)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is SIIWMQPPFSEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-13-11-9(2)12(16-8-15-11)14-7-10-5-6-18(3)17-10/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 82874582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).