6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine

C12H16ClN3 — CID 103724872

IUPAC6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
SMILESC#CCCCNc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C12H16ClN3/c1-4-6-7-8-14-12-9(3)11(13)15-10(5-2)16-12/h1H,5-8H2,2-3H3,(H,14,15,16)
InChIKeyUNPSLOGAMNFNQY-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.83
Rot. Bonds5

About 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine (PubChem CID 103724872) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
PubChem CID103724872
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
SMILESC#CCCCNc1nc(CC)nc(Cl)c1C
InChIInChI=1S/C12H16ClN3/c1-4-6-7-8-14-12-9(3)11(13)15-10(5-2)16-12/h1H,5-8H2,2-3H3,(H,14,15,16)
InChIKeyUNPSLOGAMNFNQY-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 133381990
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 79557700
2-ethyl-6-methyl-N-pent-4-ynylthieno[2,3-d]pyrimidin-4-amine
CID 166120028
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
tert-butyl N-[2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 115674145
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
1-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80977973
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine (CID 103724872) is 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine is C#CCCCNc1nc(CC)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine?
The InChIKey is UNPSLOGAMNFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-4-6-7-8-14-12-9(3)11(13)15-10(5-2)16-12/h1H,5-8H2,2-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine has a molecular weight of 237.73 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine is sourced from PubChem (CID 103724872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).